methyl (E)-3-azido-2-cyano-3-[(3,4-dimethylphenyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-3-azido-2-cyano-3-[(3,4-dimethylphenyl)amino]prop-2-enoate Openeye Name: methyl (E)-3-azido-2-cyano-3-(3,4-dimethylanilino)prop-2-enoate CAS Name: (E)-3-azido-2-cyano-3-(3,4-dimethylanilino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-azido-2-cyano-3-(3,4-dimethylanilino)prop-2-enoate Traditional Name: (E)-3-azido-2-cyano-3-(3,4-dimethylanilino)acrylic acid methyl ester Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C#N)C(=O)OC)N=[N+]=[N-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=C(/C#N)\C(=O)OC)/N=[N+]=[N-])C

InChI

InChI=1S/C13H13N5O2/c1-8-4-5-10(6-9(8)2)16-12(17-18-15)11(7-14)13(19)20-3/h4-6,16H,1-3H3/b12-11+