5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-14(21-13-12-16-6-4-3-5-7-16)19-15(2)22-23(20(19)25)17-8-10-18(11-9-17)24(26)27/h3-11,21H,12-13H2,1-2H3