[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-16-3-8-18(9-4-16)23(14-2-13-22)20(25)15-29-21(26)12-7-17-5-10-19(11-6-17)24(27)28/h3-12H,2,14-15H2,1H3/b12-7+