[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)OC(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)OC(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-12(2)29-15-7-5-14(6-8-15)20(24)28-11-19(23)21-16-10-18(27-4)17(22(25)26)9-13(16)3/h5-10,12H,11H2,1-4H3,(H,21,23)