4-[(Z)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one

Systemtic Name: 4-[(Z)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one Openeye Name: 4-[(Z)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one CAS Name: 4-[(Z)-3-indolylidenemethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one IUPAC Name: 4-[(Z)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one Traditional Name: 4-[(Z)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-3-pyrazolin-3-one Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=NC4=CC=CC=C43

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/3\C=NC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O3/c1-2-5-20-18(12-14-13-22-19-7-4-3-6-17(14)19)21(26)24(23-20)15-8-10-16(11-9-15)25(27)28/h3-4,6-13,23H,2,5H2,1H3/b14-12+