1,3-dinitrooxypropan-2-yl 2-[1-(4-chlorophenyl)carbonyl-2-methyl-2,3-dihydroindol-3-yl]ethanoate

Systemtic Name: 1,3-dinitrooxypropan-2-yl 2-[1-(4-chlorophenyl)carbonyl-2-methyl-2,3-dihydroindol-3-yl]ethanoate Openeye Name: [2-nitrooxy-1-(nitrooxymethyl)ethyl] 2-[1-(4-chlorobenzoyl)-2-methyl-indolin-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl 2-[1-(4-chlorobenzoyl)-2-methyl-2,3-dihydroindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-2-methyl-indolin-3-yl]acetic acid [2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C21H20ClN3O9 MolecularWeight: 493.8512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl)CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC1C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl)CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O9/c1-13-18(10-20(26)34-16(11-32-24(28)29)12-33-25(30)31)17-4-2-3-5-19(17)23(13)21(27)14-6-8-15(22)9-7-14/h2-9,13,16,18H,10-12H2,1H3