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

Systemtic Name: (7-acetamido-1,2,10-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 3-(nitrooxymethyl)benzoate Openeye Name: (7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 3-(nitrooxymethyl)benzoate CAS Name: 3-(nitrooxymethyl)benzoic 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) 3-(nitrooxymethyl)benzoate Traditional Name: 3-(nitrooxymethyl)benzoic acid (7-acetamido-9-keto-1,2,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ester Formula: C29H28N2O10 MolecularWeight: 564.54002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC(=O)C4=CC(=CC=C4)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC(=O)C4=CC(=CC=C4)CO[N+](=O)[O-]

InChI

InChI=1S/C29H28N2O10/c1-16(32)30-22-10-8-18-13-25(41-29(34)19-7-5-6-17(12-19)15-40-31(35)36)27(38-3)28(39-4)26(18)20-9-11-24(37-2)23(33)14-21(20)22/h5-7,9,11-14,22H,8,10,15H2,1-4H3,(H,30,32)