(7-acetamido-1,2,10-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-nitrooxybutanoate

Systemtic Name: (7-acetamido-1,2,10-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-nitrooxybutanoate Openeye Name: (7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid (7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ester IUPAC Name: (7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid (7-acetamido-9-keto-1,2,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ester Formula: C25H28N2O10 MolecularWeight: 516.49722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O10/c1-14(28)26-18-9-7-15-12-21(37-22(30)6-5-11-36-27(31)32)24(34-3)25(35-4)23(15)16-8-10-20(33-2)19(29)13-17(16)18/h8,10,12-13,18H,5-7,9,11H2,1-4H3,(H,26,28)