methyl (2S)-3-methyl-2-[2-(3-nitroindol-1-yl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-(3-nitroindol-1-yl)ethanoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-(3-nitroindol-1-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(3-nitro-1-indolyl)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-(3-nitroindol-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(3-nitroindol-1-yl)acetyl]amino]butyric acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CN1C=C(C2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CN1C=C(C2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-10(2)15(16(21)24-3)17-14(20)9-18-8-13(19(22)23)11-6-4-5-7-12(11)18/h4-8,10,15H,9H2,1-3H3,(H,17,20)/t15-/m0/s1