O1-methyl O3-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester O1-methyl ester Formula: C24H19N3O9 MolecularWeight: 493.42236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O9/c1-14-8-9-19(20(10-14)27(33)34)25-22(28)21(15-6-4-3-5-7-15)36-24(30)17-11-16(23(29)35-2)12-18(13-17)26(31)32/h3-13,21H,1-2H3,(H,25,28)