ethanedioic acid; pyridin-3-ylmethyl N-[4-(cyanomethyl)phenyl]carbamate

Systemtic Name: ethanedioic acid; pyridin-3-ylmethyl N-[4-(cyanomethyl)phenyl]carbamate Openeye Name: oxalic acid; 3-pyridylmethyl N-[4-(cyanomethyl)phenyl]carbamate CAS Name: N-[4-(cyanomethyl)phenyl]carbamic acid 3-pyridinylmethyl ester; oxalic acid IUPAC Name: oxalic acid; pyridin-3-ylmethyl N-[4-(cyanomethyl)phenyl]carbamate Traditional Name: N-[4-(cyanomethyl)phenyl]carbamic acid 3-pyridylmethyl ester; oxalic acid Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)NC2=CC=C(C=C2)CC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)NC2=CC=C(C=C2)CC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13N3O2.C2H2O4/c16-8-7-12-3-5-14(6-4-12)18-15(19)20-11-13-2-1-9-17-10-13;3-1(4)2(5)6/h1-6,9-10H,7,11H2,(H,18,19);(H,3,4)(H,5,6)