methyl (E)-2-[(3,5-dimethylphenyl)carbonylamino]-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-[(3,5-dimethylphenyl)carbonylamino]-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-[(3,5-dimethylbenzoyl)amino]-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate CAS Name: (E)-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-3-[4-(1,2,4-triazol-1-yl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[(3,5-dimethylbenzoyl)amino]-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-[(3,5-dimethylbenzoyl)amino]-3-[4-(1,2,4-triazol-1-yl)phenyl]acrylic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=CC2=CC=C(C=C2)N3C=NC=N3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N3C=NC=N3)/C(=O)OC)C

InChI

InChI=1S/C21H20N4O3/c1-14-8-15(2)10-17(9-14)20(26)24-19(21(27)28-3)11-16-4-6-18(7-5-16)25-13-22-12-23-25/h4-13H,1-3H3,(H,24,26)/b19-11+