[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O4/c1-15-7-9-16(10-8-15)24(12-4-11-22)20(25)14-27-21(26)13-18-17-5-2-3-6-19(17)28-23-18/h2-3,5-10H,4,12-14H2,1H3