ethyl 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H24N2O5/c1-5-23-13(3)16(20(14(23)4)21(25)26-6-2)8-10-19(24)22-15-7-9-17-18(11-15)28-12-27-17/h7-11H,5-6,12H2,1-4H3,(H,22,24)/b10-8+