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

Systemtic Name: 3-(4-ethoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate Openeye Name: 3-(4-ethoxy-1,3-dimethyl-8-oxo-cyclohepta[c]pyrrol-2-yl)benzoate CAS Name: 3-(4-ethoxy-1,3-dimethyl-8-oxo-2-cyclohepta[c]pyrrolyl)benzoate IUPAC Name: 3-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate Traditional Name: 3-(4-ethoxy-8-keto-1,3-dimethyl-cyclohepta[c]pyrrol-2-yl)benzoate Formula: C20H18NO4- MolecularWeight: 336.36122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C20H19NO4/c1-4-25-17-10-6-9-16(22)18-12(2)21(13(3)19(17)18)15-8-5-7-14(11-15)20(23)24/h5-11H,4H2,1-3H3,(H,23,24)/p-1