NSC71840
Molecular Formula:
C
23
H
24
N
2
O
7
S
InChI:
InChI=1/C16H16N2O4.C7H8O3S/c17-15(10-12-6-8-14(9-7-12)18(20)21)16(19)22-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15H,10-11,17H2;2-5H,1H3,(H,8,9,10)/f/h;8H
InChIKey:
InChIKey=XKQURFZLVKPINM-JBXJCYQCCP
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N
Names:
benzyl 2-amino-3-(4-nitrophenyl)propanoate; 4-methylbenzenesulfonic acid
NSC71840
7252-65-5
Registries:
PubChem CID 251449
PubChem ID 114723