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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H15N3O5/c1-11-6-5-8-14(16(11)21(24)25)18(23)26-12(2)17(22)20-15-9-4-3-7-13(15)10-19/h3-9,12H,1-2H3,(H,20,22)