1-cyclopropyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-6-nitro-7-piperazino-quinoline-3-carboxylic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N4O5/c22-16-11-7-15(21(25)26)14(19-5-3-18-4-6-19)8-13(11)20(10-1-2-10)9-12(16)17(23)24/h7-10,18H,1-6H2,(H,23,24)