7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methyl-6-nitro-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C26H26N4O7 MolecularWeight: 506.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C26H26N4O7/c1-15-23-18(25(31)19(26(32)33)13-29(23)17-3-4-17)11-20(30(34)35)24(15)28-8-6-27(7-9-28)12-16-2-5-21-22(10-16)37-14-36-21/h2,5,10-11,13,17H,3-4,6-9,12,14H2,1H3,(H,32,33)