ethyl 7-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(1H-benzimidazol-2-yl)-1-piperazinyl]-1-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(1H-benzimidazol-2-yl)piperazino]-4-keto-1-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C24H24N6O5 MolecularWeight: 476.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C24H24N6O5/c1-3-35-23(32)16-14-27(2)19-13-20(21(30(33)34)12-15(19)22(16)31)28-8-10-29(11-9-28)24-25-17-6-4-5-7-18(17)26-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,26)