5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[1-(4-nitrophenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C16H14N4O3 MolecularWeight: 310.30736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C(=O)NN2)C=C3C=CC=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C(=O)NN2)/C=C\3/C=CC=N3

InChI

InChI=1S/C16H14N4O3/c1-10(11-4-6-13(7-5-11)20(22)23)15-14(16(21)19-18-15)9-12-3-2-8-17-12/h2-10H,1H3,(H2,18,19,21)/b12-9-