[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=C(C(=C2C)C)C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=C(C(=C2C)C)C)C)C

InChI

InChI=1S/C21H24N2O5/c1-11-9-17(23(26)27)7-8-18(11)22-19(24)10-28-21(25)20-15(5)13(3)12(2)14(4)16(20)6/h7-9H,10H2,1-6H3,(H,22,24)