ethyl 7-(3-acetamidopyrrolidin-1-yl)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(3-acetamidopyrrolidin-1-yl)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(3-acetamidopyrrolidin-1-yl)-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-acetamido-1-pyrrolidinyl)-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-acetamidopyrrolidin-1-yl)-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-acetamidopyrrolidino)-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCC(C3)NC(=O)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCC(C3)NC(=O)C)C4CC4

InChI

InChI=1S/C21H24N4O6/c1-3-31-21(28)16-11-24(14-4-5-14)17-9-18(19(25(29)30)8-15(17)20(16)27)23-7-6-13(10-23)22-12(2)26/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,22,26)