[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate CAS Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Traditional Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3=NC(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3=NC(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-11-3-8-15(9-16(11)23(26)27)21-17(24)10-28-19(25)14-6-4-13(5-7-14)18-20-12(2)22-29-18/h3-9H,10H2,1-2H3,(H,21,24)