[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O6/c1-16-13-19(25(28)29)11-12-21(16)24-22(26)15-31-23(27)18-9-7-17(8-10-18)14-30-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,24,26)