methyl 3-[[4-(cyanomethoxy)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(cyanomethoxy)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(cyanomethoxy)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(cyanomethoxy)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyanomethoxy)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(cyanomethoxy)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-25-17(22)12-8-11(9-14(10-12)20(23)24)16(21)19-13-2-4-15(5-3-13)26-7-6-18/h2-5,8-10H,7H2,1H3,(H,19,21)