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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H24N2O6/c1-11-12(2)14(4)20(15(5)13(11)3)21(25)29-10-19(24)22-17-8-7-16(28-6)9-18(17)23(26)27/h7-9H,10H2,1-6H3,(H,22,24)