5-(4-nitrophenyl)-2-[4-[(E)-octadec-1-enyl]phenyl]-3,4-dihydropyrazole

Systemtic Name: 5-(4-nitrophenyl)-2-[4-[(E)-octadec-1-enyl]phenyl]-3,4-dihydropyrazole Openeye Name: 5-(4-nitrophenyl)-2-[4-[(E)-octadec-1-enyl]phenyl]-3,4-dihydropyrazole CAS Name: 5-(4-nitrophenyl)-2-[4-[(E)-octadec-1-enyl]phenyl]-3,4-dihydropyrazole IUPAC Name: 5-(4-nitrophenyl)-2-[4-[(E)-octadec-1-enyl]phenyl]-3,4-dihydropyrazole Traditional Name: 3-(4-nitrophenyl)-1-[4-[(E)-octadec-1-enyl]phenyl]-2-pyrazoline Formula: C33H47N3O2 MolecularWeight: 517.74518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C33H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-19-23-31(24-20-29)35-28-27-33(34-35)30-21-25-32(26-22-30)36(37)38/h17-26H,2-16,27-28H2,1H3/b18-17+