ethyl 7-(azepan-1-yl)-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(azepan-1-yl)-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(azepan-1-yl)-1-cyclopropyl-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(1-azepanyl)-1-cyclopropyl-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(azepan-1-yl)-1-cyclopropyl-8-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(azepan-1-yl)-1-cyclopropyl-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCCCCC3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCCCCC3)C)C4CC4

InChI

InChI=1S/C22H27N3O5/c1-3-30-22(27)17-13-24(15-8-9-15)19-14(2)20(23-10-6-4-5-7-11-23)18(25(28)29)12-16(19)21(17)26/h12-13,15H,3-11H2,1-2H3