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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-fluorophenyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C28H23FN4O7 MolecularWeight: 546.503223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6=CC=C(C=C6)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6=CC=C(C=C6)F)[N+](=O)[O-]

InChI

InChI=1S/C28H23FN4O7/c29-18-2-4-19(5-3-18)32-15-21(28(35)36)27(34)20-12-24(33(37)38)23(13-22(20)32)31-9-7-30(8-10-31)14-17-1-6-25-26(11-17)40-16-39-25/h1-6,11-13,15H,7-10,14,16H2,(H,35,36)