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

Systemtic Name: 8-cyano-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 8-cyano-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 8-cyano-7-(3-methyl-1-piperazinyl)-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 8-cyano-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 8-cyano-4-keto-7-(3-methylpiperazino)-6-nitro-1H-quinoline-3-carboxylic acid Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c1-8-7-20(3-2-18-8)14-10(5-17)13-9(4-12(14)21(25)26)15(22)11(6-19-13)16(23)24/h4,6,8,18H,2-3,7H2,1H3,(H,19,22)(H,23,24)