ethyl 1-cyclopropyl-8-methyl-7-morpholin-4-yl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-methyl-7-morpholin-4-yl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-methyl-7-morpholino-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methyl-7-(4-morpholinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-methyl-7-morpholin-4-yl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-morpholino-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCOCC3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCOCC3)C)C4CC4

InChI

InChI=1S/C20H23N3O6/c1-3-29-20(25)15-11-22(13-4-5-13)17-12(2)18(21-6-8-28-9-7-21)16(23(26)27)10-14(17)19(15)24/h10-11,13H,3-9H2,1-2H3