5-azanyl-2-[(2-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(2-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(2-nitrobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(2-nitrophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(2-nitrobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[(2-nitrobenzoyl)amino]valeric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c13-10(16)6-5-8(12(18)19)14-11(17)7-3-1-2-4-9(7)15(20)21/h1-4,8H,5-6H2,(H2,13,16)(H,14,17)(H,18,19)