2,3-dinitrooxypropyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: 2,3-dinitrooxypropyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 2,3-dinitrooxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2,3-dinitrooxypropyl ester IUPAC Name: 2,3-dinitrooxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 2,3-dinitrooxypropyl ester Formula: C22H20ClN3O10 MolecularWeight: 521.8613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O10/c1-13-18(10-21(27)34-11-17(36-26(31)32)12-35-25(29)30)19-9-16(33-2)7-8-20(19)24(13)22(28)14-3-5-15(23)6-4-14/h3-9,17H,10-12H2,1-2H3