2-[3-nitro-4-[4-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-nitro-4-[4-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoic acid Openeye Name: 2-[3-nitro-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)-1-piperidyl]benzoyl]benzoic acid CAS Name: 2-[[3-nitro-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-nitro-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]benzoyl]benzoic acid Traditional Name: 2-[4-[4-(2-keto-3,4-dihydroquinolin-1-yl)piperidino]-3-nitro-benzoyl]benzoic acid Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O6/c32-26-12-10-18-5-1-4-8-23(18)30(26)20-13-15-29(16-14-20)24-11-9-19(17-25(24)31(36)37)27(33)21-6-2-3-7-22(21)28(34)35/h1-9,11,17,20H,10,12-16H2,(H,34,35)