8-[2-cyanoethyl(methyl)carbamoyl]naphthalene-1-carboxylate

Systemtic Name: 8-[2-cyanoethyl(methyl)carbamoyl]naphthalene-1-carboxylate Openeye Name: 8-[2-cyanoethyl(methyl)carbamoyl]naphthalene-1-carboxylate CAS Name: 8-[[2-cyanoethyl(methyl)amino]-oxomethyl]-1-naphthalenecarboxylate IUPAC Name: 8-[2-cyanoethyl(methyl)carbamoyl]naphthalene-1-carboxylate Traditional Name: 8-[2-cyanoethyl(methyl)carbamoyl]-1-naphthoate Formula: C16H13N2O3- MolecularWeight: 281.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3/c1-18(10-4-9-17)15(19)12-7-2-5-11-6-3-8-13(14(11)12)16(20)21/h2-3,5-8H,4,10H2,1H3,(H,20,21)/p-1