4-[(E)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate

Systemtic Name: 4-[(E)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate Openeye Name: 4-[(E)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate CAS Name: 4-[(E)-3-indolylidenemethyl]-2-(4-nitrophenyl)-5-propyl-3-pyrazololate IUPAC Name: 4-[(E)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propylpyrazol-3-olate Traditional Name: 4-[(E)-indol-3-ylidenemethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate Formula: C21H17N4O3- MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C=C2C=NC3=CC=CC=C32)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=C1/C=C\2/C=NC3=CC=CC=C32)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

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/h3-4,6-13,26H,2,5H2,1H3/p-1/b14-12-