methyl 3-(1H-indol-3-yl)-2-nitro-butanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-nitro-butanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-nitro-butanoate CAS Name: 3-(1H-indol-3-yl)-2-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-nitrobutanoate Traditional Name: 3-(1H-indol-3-yl)-2-nitro-butyric acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CNC2=CC=CC=C21)C(C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-8(12(15(17)18)13(16)19-2)10-7-14-11-6-4-3-5-9(10)11/h3-8,12,14H,1-2H3