ethyl 3-bromanyl-4-[[4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[[4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: ethyl 3-bromo-4-[[4-(4-methyl-2-nitro-anilino)-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 3-bromo-4-[[4-(4-methyl-2-nitroanilino)-1,4-dioxobutoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[4-(4-methyl-2-nitroanilino)-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 3-bromo-4-[[4-keto-4-(4-methyl-2-nitro-anilino)butanoyl]oxymethyl]benzoic acid ethyl ester Formula: C21H21BrN2O7 MolecularWeight: 493.30464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)COC(=O)CCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)COC(=O)CCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-])Br

InChI

InChI=1S/C21H21BrN2O7/c1-3-30-21(27)14-5-6-15(16(22)11-14)12-31-20(26)9-8-19(25)23-17-7-4-13(2)10-18(17)24(28)29/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,23,25)