methyl (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoate CAS Name: (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propionic acid methyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CNC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN[C@@H](CC1=CNC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H15N3O4/c1-14-10(13(17)20-2)6-8-7-15-9-4-3-5-11(12(8)9)16(18)19/h3-5,7,10,14-15H,6H2,1-2H3/t10-/m0/s1