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

Systemtic Name: ethyl 1-cyclopropyl-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(4-methyl-1-piperazin-4-iumyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CC[NH+](CC3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CC[NH+](CC3)C)C4CC4

InChI

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