[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-11-4-9-15(20(23)24)17(12(11)2)19-16(21)10-26-18(22)13-5-7-14(25-3)8-6-13/h4-9H,10H2,1-3H3,(H,19,21)