5-(azepan-1-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(azepan-1-yl)-2-nitro-benzoic acid Openeye Name: 5-(azepan-1-yl)-2-nitro-benzoic acid CAS Name: 5-(1-azepanyl)-2-nitrobenzoic acid IUPAC Name: 5-(azepan-1-yl)-2-nitrobenzoic acid Traditional Name: 5-(azepan-1-yl)-2-nitro-benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O4/c16-13(17)11-9-10(5-6-12(11)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)