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

Systemtic Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C31H31ClN4O5 MolecularWeight: 575.05464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C31H31ClN4O5/c1-31(2,3)35-19-24(30(38)39)29(37)23-17-27(36(40)41)26(18-25(23)35)33-13-15-34(16-14-33)28(20-7-5-4-6-8-20)21-9-11-22(32)12-10-21/h4-12,17-19,28H,13-16H2,1-3H3,(H,38,39)