[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-10-3-8-14(20(23)24)9-15(10)19-16(21)11(2)25-17(22)12-4-6-13(18)7-5-12/h3-9,11H,18H2,1-2H3,(H,19,21)