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

Systemtic Name: 4-(4-methoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate Openeye Name: 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)benzoate IUPAC Name: 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)benzoate Formula: C19H16NO4- MolecularWeight: 322.33464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=CC=C(C2=C(N1C3=CC=C(C=C3)C(=O)[O-])C)OC

Isomeric SMILES

CC1=C2C(=O)C=CC=C(C2=C(N1C3=CC=C(C=C3)C(=O)[O-])C)OC

InChI

InChI=1S/C19H17NO4/c1-11-17-15(21)5-4-6-16(24-3)18(17)12(2)20(11)14-9-7-13(8-10-14)19(22)23/h4-10H,1-3H3,(H,22,23)/p-1