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

Systemtic Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-4-28-18-10-9-14(11-17(18)23(26)27)21(25)29-13(3)20(24)19-12(2)22-16-8-6-5-7-15(16)19/h5-11,13,22H,4H2,1-3H3/t13-/m1/s1