3-[(E)-hexadec-2-enyl]-1-(3-oxidanylidene-1,2-dihydroindazol-6-yl)pyrrolidine-2,5-dione

Systemtic Name: 3-[(E)-hexadec-2-enyl]-1-(3-oxidanylidene-1,2-dihydroindazol-6-yl)pyrrolidine-2,5-dione Openeye Name: 3-[(E)-hexadec-2-enyl]-1-(3-oxo-1,2-dihydroindazol-6-yl)pyrrolidine-2,5-dione CAS Name: 3-[(E)-hexadec-2-enyl]-1-(3-oxo-1,2-dihydroindazol-6-yl)pyrrolidine-2,5-dione IUPAC Name: 3-[(E)-hexadec-2-enyl]-1-(3-oxo-1,2-dihydroindazol-6-yl)pyrrolidine-2,5-dione Traditional Name: 3-[(E)-hexadec-2-enyl]-1-(3-ketoindazolin-6-yl)pyrrolidine-2,5-quinone Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1CC(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)NN3

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1CC(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)NN3

InChI

InChI=1S/C27H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-25(31)30(27(21)33)22-17-18-23-24(20-22)28-29-26(23)32/h14-15,17-18,20-21H,2-13,16,19H2,1H3,(H2,28,29,32)/b15-14+