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

Systemtic Name: ethyl 2-azanyl-6-bromanyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)chromane-3-carboxylate CAS Name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-keto-ethyl)chroman-3-carboxylic acid ethyl ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1N)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1N)C(C#N)C(=O)OCC

InChI

InChI=1S/C17H19BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13-15H,3-4,20H2,1-2H3