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

Systemtic Name: methyl (2S)-2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(6-bromo-3-nitro-1-indolyl)-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-bromo-3-nitroindol-1-yl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H18BrN3O5 MolecularWeight: 412.23522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O5/c1-9(2)15(16(22)25-3)18-14(21)8-19-7-13(20(23)24)11-5-4-10(17)6-12(11)19/h4-7,9,15H,8H2,1-3H3,(H,18,21)/t15-/m0/s1