5-methyl-2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]pyrazol-3-one Openeye Name: 4-[(allylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]pyrazol-3-one Traditional Name: 4-[(allylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c1-3-8-15-9-13-10(2)16-17(14(13)19)11-4-6-12(7-5-11)18(20)21/h3-7,9,15H,1,8H2,2H3