methyl (2S)-2-[2-[(4-hydroxyphenyl)-nitroso-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-hydroxyphenyl)-nitroso-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-hydroxy-N-nitroso-anilino)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(4-hydroxy-N-nitrosoanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-hydroxy-N-nitrosoanilino)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-hydroxy-N-nitroso-anilino)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C2=CC=C(C=C2)O)N=O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-26-18(24)16(11-13-5-3-2-4-6-13)19-17(23)12-21(20-25)14-7-9-15(22)10-8-14/h2-10,16,22H,11-12H2,1H3,(H,19,23)/t16-/m0/s1