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

Systemtic Name: ethyl 1-cyclopropyl-6-nitro-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-nitro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-nitro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-nitro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-6-nitro-7-piperazin-4-ium-1-yl-quinoline-3-carboxylic acid ethyl ester Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CC[NH2+]CC3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CC[NH2+]CC3)C4CC4

InChI

InChI=1S/C19H22N4O5/c1-2-28-19(25)14-11-22(12-3-4-12)15-10-16(21-7-5-20-6-8-21)17(23(26)27)9-13(15)18(14)24/h9-12,20H,2-8H2,1H3/p+1