[6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitro-indol-7-yl]methyl ethanoate

Systemtic Name: [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitro-indol-7-yl]methyl ethanoate Openeye Name: [6-acetoxy-2-methyl-3-nitro-1-(p-tolyl)indol-7-yl]methyl acetate CAS Name: acetic acid [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitro-7-indolyl]methyl ester IUPAC Name: [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate Traditional Name: acetic acid [6-acetoxy-2-methyl-3-nitro-1-(p-tolyl)indol-7-yl]methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)OC(=O)C)COC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)OC(=O)C)COC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6/c1-12-5-7-16(8-6-12)22-13(2)20(23(26)27)17-9-10-19(29-15(4)25)18(21(17)22)11-28-14(3)24/h5-10H,11H2,1-4H3