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

Systemtic Name: ethyl 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O6/c1-4-30-20(27)14-8-13(9-16(10-14)24(28)29)19(26)23(3)11-18(25)22-17-6-5-15(21)7-12(17)2/h5-10H,4,11H2,1-3H3,(H,22,25)