ethyl 2-azanyl-6,8-bis(bromanyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6,8-bis(bromanyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-6,8-dibromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate CAS Name: 2-amino-6,8-dibromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6,8-dibromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate Traditional Name: 2-amino-6,8-dibromo-4-(1-cyano-2-ethoxy-2-keto-ethyl)-4H-chromene-3-carboxylic acid ethyl ester Formula: C17H16Br2N2O5 MolecularWeight: 488.12734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C2C1C(C#N)C(=O)OCC)Br)Br)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C2C1C(C#N)C(=O)OCC)Br)Br)N

InChI

InChI=1S/C17H16Br2N2O5/c1-3-24-16(22)10(7-20)12-9-5-8(18)6-11(19)14(9)26-15(21)13(12)17(23)25-4-2/h5-6,10,12H,3-4,21H2,1-2H3