5-methyl-4-(C-methyl-N-pentyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(C-methyl-N-pentyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(C-methyl-N-pentyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-(1-pentyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(C-methyl-N-pentylcarbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 4-(N-amyl-C-methyl-carbonimidoyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-4-5-6-11-18-12(2)16-13(3)19-20(17(16)22)14-7-9-15(10-8-14)21(23)24/h7-10,16H,4-6,11H2,1-3H3