8-cyano-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-7-(3-methyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-4-keto-7-(3-methylpiperazino)-6-nitro-quinoline-3-carboxylic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2C#N)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2C#N)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c1-10-8-22(5-4-21-10)17-13(7-20)16-12(6-15(17)24(28)29)18(25)14(19(26)27)9-23(16)11-2-3-11/h6,9-11,21H,2-5,8H2,1H3,(H,26,27)