methyl 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-11-18(14-6-4-5-7-15(14)21-11)19(23)12(2)28-17-9-8-13(20(24)27-3)10-16(17)22(25)26/h4-10,12,21H,1-3H3/t12-/m0/s1