(4S)-4-acetamido-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (4S)-4-acetamido-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (4S)-4-acetamido-5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: (4S)-4-acetamido-5-(4-nitroanilino)-5-oxopentanoate IUPAC Name: (4S)-4-acetamido-5-(4-nitroanilino)-5-oxopentanoate Traditional Name: (4S)-4-acetamido-5-keto-5-(4-nitroanilino)valerate Formula: C13H14N3O6- MolecularWeight: 308.26676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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