[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H12N2O5 MolecularWeight: 324.28758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O5/c18-8-11-2-1-3-12(6-11)17(21)22-9-16(20)19-13-4-5-14-15(7-13)24-10-23-14/h1-7H,9-10H2,(H,19,20)