methyl (2S)-2-azanyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-keto-5-(4-nitroanilino)valeric acid methyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H15N3O5/c1-20-12(17)10(13)6-7-11(16)14-8-2-4-9(5-3-8)15(18)19/h2-5,10H,6-7,13H2,1H3,(H,14,16)/t10-/m0/s1