(4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]pyrazol-3-one Openeye Name: (4Z)-4-[1-(benzylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]-3-pyrazolone IUPAC Name: (4Z)-4-[1-(benzylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4Z)-4-[1-(benzylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c1-13(20-12-15-6-4-3-5-7-15)18-14(2)21-22(19(18)24)16-8-10-17(11-9-16)23(25)26/h3-11,20H,12H2,1-2H3/b18-13-