ethyl 1-methyl-6-nitro-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-6-nitro-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-6-nitro-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 1-methyl-6-nitro-4-oxo-7-[4-(2-pyrazinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-6-nitro-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 4-keto-1-methyl-6-nitro-7-(4-pyrazin-2-ylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC=CN=C4)C

InChI

InChI=1S/C21H22N6O5/c1-3-32-21(29)15-13-24(2)16-11-17(18(27(30)31)10-14(16)20(15)28)25-6-8-26(9-7-25)19-12-22-4-5-23-19/h4-5,10-13H,3,6-9H2,1-2H3