azepane; 3-nitrobenzoic acid
Molecular Formula:
C
13
H
18
N
2
O
4
InChI:
InChI=1/C7H5NO4.C6H13N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-6-7-5-3-1/h1-4H,(H,9,10);7H,1-6H2/f/h9H;
InChIKey:
InChIKey=LCIYFINKFGDAHD-VNJRKMSKCO
SMILES:
C1CCCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Names:
azepane; 3-nitrobenzoic acid
Registries:
PubChem CID 202003
PubChem ID 10264984