methyl 2-[2-(4-cyanophenyl)ethanoylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(4-cyanophenyl)ethanoylamino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(4-cyanophenyl)acetyl]amino]-5-nitro-benzoate CAS Name: 2-[[2-(4-cyanophenyl)-1-oxoethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-cyanophenyl)acetyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-(4-cyanophenyl)acetyl]amino]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13N3O5/c1-25-17(22)14-9-13(20(23)24)6-7-15(14)19-16(21)8-11-2-4-12(10-18)5-3-11/h2-7,9H,8H2,1H3,(H,19,21)