[3-ethanoyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] 2-nitrobenzoate

Systemtic Name: [3-ethanoyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] 2-nitrobenzoate Openeye Name: [3-acetyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-acetyl-1-(4-methoxyphenyl)-2-methyl-5-indolyl] ester IUPAC Name: [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-acetyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C25H20N2O6/c1-15-24(16(2)28)21-14-19(33-25(29)20-6-4-5-7-23(20)27(30)31)12-13-22(21)26(15)17-8-10-18(32-3)11-9-17/h4-14H,1-3H3