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

Systemtic Name: methyl 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-5-nitro-benzoate CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-5-nitro-benzoic acid methyl ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

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