methyl (2S)-2-[2-[(4-hydroxyphenyl)-nitroso-amino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-[(4-hydroxyphenyl)-nitroso-amino]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(4-hydroxy-N-nitroso-anilino)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(4-hydroxy-N-nitrosoanilino)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-hydroxy-N-nitrosoanilino)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-hydroxy-N-nitroso-anilino)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN(C1=CC=C(C=C1)O)N=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CN(C1=CC=C(C=C1)O)N=O

InChI

InChI=1S/C15H21N3O5/c1-10(2)8-13(15(21)23-3)16-14(20)9-18(17-22)11-4-6-12(19)7-5-11/h4-7,10,13,19H,8-9H2,1-3H3,(H,16,20)/t13-/m0/s1