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

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-indol-3-yl]ethanoate Openeye Name: [3-(nitrooxymethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-3-indolyl]acetic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-indol-3-yl]acetic acid [3-(nitrooxymethyl)phenyl] ester Formula: C25H19ClN2O7 MolecularWeight: 494.88056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CC(=O)OC3=CC=CC(=C3)CO[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CC(=O)OC3=CC=CC(=C3)CO[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O7/c1-33-20-9-10-23-22(13-20)18(14-27(23)25(30)17-5-7-19(26)8-6-17)12-24(29)35-21-4-2-3-16(11-21)15-34-28(31)32/h2-11,13-14H,12,15H2,1H3