(2S)-2-acetamido-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-acetamido-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-acetamido-5-(4-nitroanilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-acetamido-5-(4-nitroanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-acetamido-5-(4-nitroanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-acetamido-5-keto-5-(4-nitroanilino)valeric acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-8(17)14-11(13(19)20)6-7-12(18)15-9-2-4-10(5-3-9)16(21)22/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,18)(H,19,20)/t11-/m0/s1