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

Systemtic Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-4-keto-6-nitro-7-piperazino-quinoline-3-carboxylic acid Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5/c19-8-12-15-11(17(24)13(18(25)26)9-22(15)10-1-2-10)7-14(23(27)28)16(12)21-5-3-20-4-6-21/h7,9-10,20H,1-6H2,(H,25,26)