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

Systemtic Name: 5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-(1-propyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(C-methyl-N-propylcarbonimidoyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3/c1-4-9-16-10(2)14-11(3)17-18(15(14)20)12-5-7-13(8-6-12)19(21)22/h5-8,14H,4,9H2,1-3H3