7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-6-nitro-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C25H24N4O7 MolecularWeight: 492.48066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H24N4O7/c30-24-17-10-21(29(33)34)20(11-19(17)28(16-2-3-16)13-18(24)25(31)32)27-7-5-26(6-8-27)12-15-1-4-22-23(9-15)36-14-35-22/h1,4,9-11,13,16H,2-3,5-8,12,14H2,(H,31,32)