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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-tert-butyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-tert-butyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-tert-butyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-tert-butyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C26H28N4O7 MolecularWeight: 508.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H28N4O7/c1-26(2,3)29-14-18(25(32)33)24(31)17-11-21(30(34)35)20(12-19(17)29)28-8-6-27(7-9-28)13-16-4-5-22-23(10-16)37-15-36-22/h4-5,10-12,14H,6-9,13,15H2,1-3H3,(H,32,33)