methyl (2S)-2-[[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-hydroxy-5-[(E)-2-nitrovinyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-hydroxy-5-[(E)-2-nitroethenyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-hydroxy-5-[(E)-2-nitroethenyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-hydroxy-5-[(E)-2-nitrovinyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-27-19(24)16(12-13-5-3-2-4-6-13)20-18(23)15-11-14(7-8-17(15)22)9-10-21(25)26/h2-11,16,22H,12H2,1H3,(H,20,23)/b10-9+/t16-/m0/s1