4-[[azanyl-(3-azanyl-2-oxidanylidene-piperidin-1-yl)phosphoryl]amino]benzoic acid

Systemtic Name: 4-[[azanyl-(3-azanyl-2-oxidanylidene-piperidin-1-yl)phosphoryl]amino]benzoic acid Openeye Name: 4-[[amino-(3-amino-2-oxo-1-piperidyl)phosphoryl]amino]benzoic acid CAS Name: 4-[[amino-(3-amino-2-oxo-1-piperidinyl)phosphoryl]amino]benzoic acid IUPAC Name: 4-[[amino-(3-amino-2-oxopiperidin-1-yl)phosphoryl]amino]benzoic acid Traditional Name: 4-[[amino-(3-amino-2-keto-piperidino)phosphoryl]amino]benzoic acid Formula: C12H17N4O4P MolecularWeight: 312.261541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)P(=O)(N)NC2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CC(C(=O)N(C1)P(=O)(N)NC2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C12H17N4O4P/c13-10-2-1-7-16(11(10)17)21(14,20)15-9-5-3-8(4-6-9)12(18)19/h3-6,10H,1-2,7,13H2,(H,18,19)(H3,14,15,20)