ethyl 1-tert-butyl-7-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-7-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-[4-(4-methoxyphenyl)-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-4-keto-7-[4-(4-methoxyphenyl)piperazino]-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C27H32N4O6 MolecularWeight: 508.56618

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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=CC=C(C=C4)OC)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O6/c1-6-37-26(33)21-17-30(27(2,3)4)22-16-23(24(31(34)35)15-20(22)25(21)32)29-13-11-28(12-14-29)18-7-9-19(36-5)10-8-18/h7-10,15-17H,6,11-14H2,1-5H3