[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15BrN2O5 MolecularWeight: 383.194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)NCCC#N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)NCCC#N)Br)O

InChI

InChI=1S/C15H15BrN2O5/c1-22-12-8-10(7-11(16)15(12)21)3-4-14(20)23-9-13(19)18-6-2-5-17/h3-4,7-8,21H,2,6,9H2,1H3,(H,18,19)/b4-3+