4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[(piperonylamino)methylene]-2-pyrazolin-3-one Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5/c1-12-16(10-20-9-13-2-7-17-18(8-13)28-11-27-17)19(24)22(21-12)14-3-5-15(6-4-14)23(25)26/h2-8,10,20H,9,11H2,1H3