dimethyl 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]propanedioate CAS Name: 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]propanedioate Traditional Name: 2-[(S)-1H-indol-3-yl-(4-nitrophenyl)methyl]malonic acid dimethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H18N2O6/c1-27-19(23)18(20(24)28-2)17(12-7-9-13(10-8-12)22(25)26)15-11-21-16-6-4-3-5-14(15)16/h3-11,17-18,21H,1-2H3/t17-/m0/s1