ethyl 4-(4-methoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate

Systemtic Name: ethyl 4-(4-methoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate Openeye Name: ethyl 4-(4-methoxy-1,3-dimethyl-8-oxo-cyclohepta[c]pyrrol-2-yl)benzoate CAS Name: 4-(4-methoxy-1,3-dimethyl-8-oxo-2-cyclohepta[c]pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate Traditional Name: 4-(8-keto-4-methoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-yl)benzoic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C3C(=O)C=CC=C(C3=C2C)OC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C3C(=O)C=CC=C(C3=C2C)OC)C

InChI

InChI=1S/C21H21NO4/c1-5-26-21(24)15-9-11-16(12-10-15)22-13(2)19-17(23)7-6-8-18(25-4)20(19)14(22)3/h6-12H,5H2,1-4H3