ethyl 1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-methyl-6-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methyl-6-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-methyl-6-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-6-nitro-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCNCC3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCNCC3)C)C4CC4

InChI

InChI=1S/C20H24N4O5/c1-3-29-20(26)15-11-23(13-4-5-13)17-12(2)18(22-8-6-21-7-9-22)16(24(27)28)10-14(17)19(15)25/h10-11,13,21H,3-9H2,1-2H3