methyl 2-azanyl-6-bromanyl-4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-8-methoxy-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-6-bromanyl-4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-8-methoxy-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-6-bromo-4-(1-cyano-2-methoxy-2-oxo-ethyl)-8-methoxy-4H-chromene-3-carboxylate CAS Name: 2-amino-6-bromo-4-(1-cyano-2-methoxy-2-oxoethyl)-8-methoxy-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-6-bromo-4-(1-cyano-2-methoxy-2-oxoethyl)-8-methoxy-4H-chromene-3-carboxylate Traditional Name: 2-amino-6-bromo-4-(1-cyano-2-keto-2-methoxy-ethyl)-8-methoxy-4H-chromene-3-carboxylic acid methyl ester Formula: C16H15BrN2O6 MolecularWeight: 411.2041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C(C(=C(O2)N)C(=O)OC)C(C#N)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C(C(=C(O2)N)C(=O)OC)C(C#N)C(=O)OC

InChI

InChI=1S/C16H15BrN2O6/c1-22-10-5-7(17)4-8-11(9(6-18)15(20)23-2)12(16(21)24-3)14(19)25-13(8)10/h4-5,9,11H,19H2,1-3H3