3-nitro-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 3-nitro-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 3-nitro-4-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 3-nitro-4-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3-nitro-4-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 4-(2-ketoazepan-3-yl)oxy-3-nitro-benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c16-12-11(3-1-2-6-14-12)21-10-5-4-8(13(17)18)7-9(10)15(19)20/h4-5,7,11H,1-3,6H2,(H,14,16)(H,17,18)