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

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: [3-(nitrooxymethyl)phenyl] 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 [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] 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 [3-(nitrooxymethyl)phenyl] ester Formula: C26H21ClN2O7 MolecularWeight: 508.90714

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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)OC4=CC=CC(=C4)CO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC=CC(=C4)CO[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN2O7/c1-16-22(14-25(30)36-21-5-3-4-17(12-21)15-35-29(32)33)23-13-20(34-2)10-11-24(23)28(16)26(31)18-6-8-19(27)9-7-18/h3-13H,14-15H2,1-2H3