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

Systemtic Name: 5-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-carbamoyl]-2-nitro-phenolate CAS Name: 5-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-carbamoyl]-2-nitro-phenolate Formula: C17H15BrN3O5- MolecularWeight: 421.2221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16BrN3O5/c1-10-7-12(18)4-5-13(10)19-16(23)9-20(2)17(24)11-3-6-14(21(25)26)15(22)8-11/h3-8,22H,9H2,1-2H3,(H,19,23)/p-1