methyl (2S)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-26-18(23)15(9-12-5-3-2-4-6-12)20-17(22)11-27-16-8-7-13(21(24)25)10-14(16)19/h2-8,10,15H,9,11H2,1H3,(H,20,22)/t15-/m0/s1