ethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-cyano-3-(dimethylaminomethylideneamino)pyrrole-2-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-cyano-3-(dimethylaminomethylideneamino)pyrrole-2-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-cyano-3-(dimethylaminomethyleneamino)pyrrole-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-cyano-3-(dimethylaminomethylideneamino)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-cyano-3-(dimethylaminomethylideneamino)pyrrole-2-carboxylate Traditional Name: 4-cyano-3-(dimethylaminomethyleneamino)-1-piperonyl-pyrrole-2-carboxylic acid ethyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC3=C(C=C2)OCO3)C#N)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC3=C(C=C2)OCO3)C#N)N=CN(C)C

InChI

InChI=1S/C19H20N4O4/c1-4-25-19(24)18-17(21-11-22(2)3)14(8-20)10-23(18)9-13-5-6-15-16(7-13)27-12-26-15/h5-7,10-11H,4,9,12H2,1-3H3