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

Systemtic Name: methyl 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O6/c1-10-5-13(19)3-4-15(10)21-16(23)9-20-17(24)11-6-12(18(25)28-2)8-14(7-11)22(26)27/h3-8H,9H2,1-2H3,(H,20,24)(H,21,23)