(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-piperonylidene-2-pyrazolin-3-one Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(22)20(19-11)13-3-5-14(6-4-13)21(23)24/h2-9H,10H2,1H3/b15-8+