1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-nitrophenyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Traditional Name: 2-methyl-5-(4-nitrophenyl)-1-piperonyl-pyrrole-3-carboxamide Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H17N3O5/c1-12-16(20(21)24)9-17(14-3-5-15(6-4-14)23(25)26)22(12)10-13-2-7-18-19(8-13)28-11-27-18/h2-9H,10-11H2,1H3,(H2,21,24)