6-(3-azanylpyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxidanylidene-5H-quinoline-3-carboxylic acid

Systemtic Name: 6-(3-azanylpyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxidanylidene-5H-quinoline-3-carboxylic acid Openeye Name: 6-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxo-5H-quinoline-3-carboxylic acid CAS Name: 6-(3-amino-1-pyrrolidinyl)-8-cyano-1-cyclopropyl-6-nitro-4-oxo-5H-quinoline-3-carboxylic acid IUPAC Name: 6-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxo-5H-quinoline-3-carboxylic acid Traditional Name: 6-(3-aminopyrrolidino)-8-cyano-1-cyclopropyl-4-keto-6-nitro-5H-quinoline-3-carboxylic acid Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=CC(C3)(N4CCC(C4)N)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=CC(C3)(N4CCC(C4)N)[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C18H19N5O5/c19-7-10-5-18(23(27)28,21-4-3-11(20)8-21)6-13-15(10)22(12-1-2-12)9-14(16(13)24)17(25)26/h5,9,11-12H,1-4,6,8,20H2,(H,25,26)