[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-7-8-19(15(2)9-14)24-22(28)25-20(26)13-30-21(27)17(12-23)10-16-5-4-6-18(11-16)29-3/h4-11H,13H2,1-3H3,(H2,24,25,26,28)/b17-10+