2-[[5-[(4-nitrophenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[5-[(4-nitrophenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[5-[(4-nitrophenyl)methylamino]-5-oxo-pentanoyl]amino]acetic acid CAS Name: 2-[[5-[(4-nitrophenyl)methylamino]-1,5-dioxopentyl]amino]acetic acid IUPAC Name: 2-[[5-[(4-nitrophenyl)methylamino]-5-oxopentanoyl]amino]acetic acid Traditional Name: 2-[[5-keto-5-[(4-nitrobenzyl)amino]pentanoyl]amino]acetic acid Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)