methyl 5-[(E)-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethenyl]-1H-indole-3-carboxylate

Systemtic Name: methyl 5-[(E)-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethenyl]-1H-indole-3-carboxylate Openeye Name: methyl 5-[(E)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)vinyl]-1H-indole-3-carboxylate CAS Name: 5-[(E)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]-1H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]-1H-indole-3-carboxylate Traditional Name: 5-[(E)-2-(3-keto-4H-1,4-benzoxazin-6-yl)vinyl]-1H-indole-3-carboxylic acid methyl ester Formula: C20H16N2O4 MolecularWeight: 348.35204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=C1C=C(C=C2)C=CC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

COC(=O)C1=CNC2=C1C=C(C=C2)/C=C/C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H16N2O4/c1-25-20(24)15-10-21-16-6-4-12(8-14(15)16)2-3-13-5-7-18-17(9-13)22-19(23)11-26-18/h2-10,21H,11H2,1H3,(H,22,23)/b3-2+