[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H13N3O4 MolecularWeight: 335.31352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13N3O4/c19-10-12-4-3-5-13(8-12)20-17(22)11-24-18(23)9-15-14-6-1-2-7-16(14)25-21-15/h1-8H,9,11H2,(H,20,22)