methyl (2S)-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-25-17(22)13(10-12-6-3-2-4-7-12)19-15(21)11-26-14-8-5-9-18-16(14)20(23)24/h2-9,13H,10-11H2,1H3,(H,19,21)/t13-/m0/s1