2-acetyloxybenzoic acid; (2S)-2-azanyl-5-[[azanyl-(oxidanylamino)methylidene]amino]pentanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; (2S)-2-azanyl-5-[[azanyl-(oxidanylamino)methylidene]amino]pentanoic acid Openeye Name: 2-acetoxybenzoic acid; (2S)-2-amino-5-[[amino-(hydroxyamino)methylene]amino]pentanoic acid CAS Name: 2-acetyloxybenzoic acid; (2S)-2-amino-5-[[amino-(hydroxyamino)methylidene]amino]pentanoic acid IUPAC Name: 2-acetyloxybenzoic acid; (2S)-2-amino-5-[[amino-(hydroxyamino)methylidene]amino]pentanoic acid Traditional Name: 2-acetoxybenzoic acid; (2S)-2-amino-5-[[amino-(hydroxyamino)methylene]amino]valeric acid Formula: C15H22N4O7 MolecularWeight: 370.35778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C(CC(C(=O)O)N)CN=C(N)NO

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)NO

InChI

InChI=1S/C9H8O4.C6H14N4O3/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-9-6(8)10-13/h2-5H,1H3,(H,11,12);4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t;4-/m.0/s1