[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-14-17(10-6-11-18(14)23(26)27)20(25)28-15(2)19(24)22(13-7-12-21)16-8-4-3-5-9-16/h3-6,8-11,15H,7,13H2,1-2H3