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

Systemtic Name: 4-[(heptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(heptylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(heptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(heptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(heptylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O3/c1-3-4-5-6-7-12-19-13-17-14(2)20-21(18(17)23)15-8-10-16(11-9-15)22(24)25/h8-11,13,19H,3-7,12H2,1-2H3