[5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 3,5-dinitrobenzoate

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 3,5-dinitrobenzoate Openeye Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-chloro-7-[(4-methyl-1-piperazinyl)methyl]-8-quinolinyl] ester IUPAC Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-chloro-7-[(4-methylpiperazino)methyl]-8-quinolyl] ester Formula: C22H20ClN5O6 MolecularWeight: 485.8771

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN5O6/c1-25-5-7-26(8-6-25)13-15-11-19(23)18-3-2-4-24-20(18)21(15)34-22(29)14-9-16(27(30)31)12-17(10-14)28(32)33/h2-4,9-12H,5-8,13H2,1H3