2-oxidanylidenetridecan-3-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate

Systemtic Name: 2-oxidanylidenetridecan-3-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate Openeye Name: 1-acetylundecyl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-acetate CAS Name: (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitrosoacetic acid 2-oxotridecan-3-yl ester IUPAC Name: 2-oxotridecan-3-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitrosoacetate Traditional Name: (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-acetic acid 1-acetylundecyl ester Formula: C31H48N2O4 MolecularWeight: 512.72382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C)OC(=O)C(=C1C2=C(C(=CC=C2)C)C(CN1)(CCC)CCC)N=O

Isomeric SMILES

CCCCCCCCCCC(C(=O)C)OC(=O)/C(=C/1\C2=C(C(=CC=C2)C)C(CN1)(CCC)CCC)/N=O

InChI

InChI=1S/C31H48N2O4/c1-6-9-10-11-12-13-14-15-19-26(24(5)34)37-30(35)29(33-36)28-25-18-16-17-23(4)27(25)31(20-7-2,21-8-3)22-32-28/h16-18,26,32H,6-15,19-22H2,1-5H3/b29-28-