ethyl 8-(4-methylpiperazin-4-ium-1-yl)-7-nitro-5-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate

Systemtic Name: ethyl 8-(4-methylpiperazin-4-ium-1-yl)-7-nitro-5-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate Openeye Name: ethyl 8-(4-methylpiperazin-4-ium-1-yl)-7-nitro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate CAS Name: 8-(4-methyl-1-piperazin-4-iumyl)-7-nitro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(4-methylpiperazin-4-ium-1-yl)-7-nitro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate Traditional Name: 5-keto-8-(4-methylpiperazin-4-ium-1-yl)-7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylic acid ethyl ester Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCN2C3=CC(=C(C=C3C1=O)[N+](=O)[O-])N4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C2CCCN2C3=CC(=C(C=C3C1=O)[N+](=O)[O-])N4CC[NH+](CC4)C

InChI

InChI=1S/C20H24N4O5/c1-3-29-20(26)18-14-5-4-6-23(14)15-12-16(22-9-7-21(2)8-10-22)17(24(27)28)11-13(15)19(18)25/h11-12H,3-10H2,1-2H3/p+1