5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylene]pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(phenethylamino)methylene]-2-pyrazolin-3-one Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c1-33-22-13-7-19(8-14-22)24-23(17-26-16-15-18-5-3-2-4-6-18)25(30)28(27-24)20-9-11-21(12-10-20)29(31)32/h2-14,17,26H,15-16H2,1H3