ethyl 1-cyclopropyl-7-[(3S)-3-methylpiperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[(3S)-3-methylpiperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[(3S)-3-methylpiperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[(3S)-3-methyl-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[(3S)-3-methylpiperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-7-[(3S)-3-methylpiperazino]-6-nitro-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=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCNC(C3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN[C@H](C3)C)C4CC4

InChI

InChI=1S/C20H24N4O5/c1-3-29-20(26)15-11-23(13-4-5-13)16-9-17(22-7-6-21-12(2)10-22)18(24(27)28)8-14(16)19(15)25/h8-9,11-13,21H,3-7,10H2,1-2H3/t12-/m0/s1