ethyl 2-azanyl-6-bromanyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-1,4-dihydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-bromanyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-1,4-dihydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-1,4-dihydroquinoline-3-carboxylate CAS Name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-1,4-dihydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-1,4-dihydroquinoline-3-carboxylate Traditional Name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-keto-ethyl)-1,4-dihydroquinoline-3-carboxylic acid ethyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N

InChI

InChI=1S/C17H18BrN3O4/c1-3-24-16(22)11(8-19)13-10-7-9(18)5-6-12(10)21-15(20)14(13)17(23)25-4-2/h5-7,11,13,21H,3-4,20H2,1-2H3