7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C30H27ClN4O5 MolecularWeight: 559.01218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H27ClN4O5/c31-21-8-6-20(7-9-21)28(19-4-2-1-3-5-19)33-14-12-32(13-15-33)26-17-25-23(16-27(26)35(39)40)29(36)24(30(37)38)18-34(25)22-10-11-22/h1-9,16-18,22,28H,10-15H2,(H,37,38)