[3-(4-methylphenyl)carbonyloxy-5-(4-nitroindol-1-yl)oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [3-(4-methylphenyl)carbonyloxy-5-(4-nitroindol-1-yl)oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [3-(4-methylbenzoyl)oxy-5-(4-nitroindol-1-yl)tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(4-methylphenyl)-oxomethoxy]-5-(4-nitro-1-indolyl)-2-oxolanyl]methyl ester IUPAC Name: [3-(4-methylbenzoyl)oxy-5-(4-nitroindol-1-yl)oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(4-nitroindol-1-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C29H26N2O7 MolecularWeight: 514.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=CC4=C3C=CC=C4[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=CC4=C3C=CC=C4[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H26N2O7/c1-18-6-10-20(11-7-18)28(32)36-17-26-25(38-29(33)21-12-8-19(2)9-13-21)16-27(37-26)30-15-14-22-23(30)4-3-5-24(22)31(34)35/h3-15,25-27H,16-17H2,1-2H3