7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-1-cyclopropyl-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C31H29ClN4O5 MolecularWeight: 573.03876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C31H29ClN4O5/c1-19-27-24(30(37)25(31(38)39)18-35(27)23-11-12-23)17-26(36(40)41)28(19)33-13-15-34(16-14-33)29(20-5-3-2-4-6-20)21-7-9-22(32)10-8-21/h2-10,17-18,23,29H,11-16H2,1H3,(H,38,39)