[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=CO2)C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=CO2)/C#N)Br

InChI

InChI=1S/C17H13BrN2O4/c1-11-4-5-15(14(18)7-11)20-16(21)10-24-17(22)12(9-19)8-13-3-2-6-23-13/h2-8H,10H2,1H3,(H,20,21)/b12-8+