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

Systemtic Name: methyl (2S)-2-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(4-methoxy-2-nitrophenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-26-14-8-9-17(16(11-14)21(24)25)28-12-18(22)20-15(19(23)27-2)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,20,22)/t15-/m0/s1