methyl (2S)-2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[2-(6-bromo-3-nitro-1-indolyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-bromo-3-nitroindol-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]propionic acid methyl ester Formula: C14H14BrN3O5 MolecularWeight: 384.18206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN3O5/c1-8(14(20)23-2)16-13(19)7-17-6-12(18(21)22)10-4-3-9(15)5-11(10)17/h3-6,8H,7H2,1-2H3,(H,16,19)/t8-/m0/s1