N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-piperonylamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H21N3O3/c1-14-4-7-19(8-5-14)25-15(2)10-18(16(25)3)12-23-24-22(26)17-6-9-20-21(11-17)28-13-27-20/h4-12H,13H2,1-3H3,(H,24,26)/b23-12+