(3-nitrooxy-2-oxidanyl-propyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: (3-nitrooxy-2-oxidanyl-propyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: (2-hydroxy-3-nitrooxy-propyl) 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-hydroxy-3-nitrooxypropyl) ester IUPAC Name: (2-hydroxy-3-nitrooxypropyl) 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-hydroxy-3-nitrooxy-propyl) ester Formula: C22H21ClN2O8 MolecularWeight: 476.86374

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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

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

InChI

InChI=1S/C22H21ClN2O8/c1-13-18(10-21(27)32-11-16(26)12-33-25(29)30)19-9-17(31-2)7-8-20(19)24(13)22(28)14-3-5-15(23)6-4-14/h3-9,16,26H,10-12H2,1-2H3