ethyl 1-(4-methoxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(4-methoxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-8-methyl-7-(4-methyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methoxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 4-keto-1-(4-methoxyphenyl)-8-methyl-7-(4-methylpiperazino)-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O6/c1-5-35-25(31)20-15-28(17-6-8-18(34-4)9-7-17)22-16(2)23(27-12-10-26(3)11-13-27)21(29(32)33)14-19(22)24(20)30/h6-9,14-15H,5,10-13H2,1-4H3