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

Systemtic Name: methyl 4-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]benzoate Openeye Name: methyl 4-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]benzoate CAS Name: 4-[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]benzoate Traditional Name: 4-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]benzoic acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-24-18(21)13-8-6-12(7-9-13)16(11-20(22)23)15-10-19-17-5-3-2-4-14(15)17/h2-10,16,19H,11H2,1H3/t16-/m0/s1