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

Systemtic Name: 5-methyl-4-(C-methyl-N-octyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(C-methyl-N-octyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-(1-octyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(C-methyl-N-octylcarbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(C-methyl-N-octyl-carbonimidoyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-4-5-6-7-8-9-14-21-15(2)19-16(3)22-23(20(19)25)17-10-12-18(13-11-17)24(26)27/h10-13,19H,4-9,14H2,1-3H3