5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-4H-pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-4H-pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-4H-pyrazol-3-one IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-4H-pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(propyliminomethyl)-2-pyrazolin-3-one Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O4/c1-3-12-21-13-18-19(14-4-10-17(28-2)11-5-14)22-23(20(18)25)15-6-8-16(9-7-15)24(26)27/h4-11,13,18H,3,12H2,1-2H3