[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H19BrN2O7 MolecularWeight: 467.26736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O7/c1-4-28-18-13(20)8-12(9-15(18)27-3)19(24)29-10-16(23)21-17-11(2)6-5-7-14(17)22(25)26/h5-9H,4,10H2,1-3H3,(H,21,23)