[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H21BrN2O8 MolecularWeight: 497.29334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21BrN2O8/c1-5-30-18-14(21)8-12(9-17(18)29-4)20(25)31-11(2)19(24)22-15-7-6-13(28-3)10-16(15)23(26)27/h6-11H,5H2,1-4H3,(H,22,24)