[3a-(6-methanoyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] ethanoate

Systemtic Name: [3a-(6-methanoyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] ethanoate Openeye Name: [3a-(6-formyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] acetate CAS Name: acetic acid [3a-(6-formyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] ester IUPAC Name: [3a-(6-formyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] acetate Traditional Name: acetic acid [3a-(6-formyl-1,3-benzodioxol-5-yl)-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3-yl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C2C1(C=CC(C2)OC)C3=CC4=C(C=C3C=O)OCO4)N=O

Isomeric SMILES

CC(=O)OC1CN(C2C1(C=CC(C2)OC)C3=CC4=C(C=C3C=O)OCO4)N=O

InChI

InChI=1S/C19H20N2O7/c1-11(23)28-18-8-21(20-24)17-6-13(25-2)3-4-19(17,18)14-7-16-15(26-10-27-16)5-12(14)9-22/h3-5,7,9,13,17-18H,6,8,10H2,1-2H3