2-acetyloxybenzoate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-acetyloxybenzoate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-acetoxybenzoate; 2-amino-5-guanidino-pentanoic acid CAS Name: 2-acetyloxybenzoate; 2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-acetyloxybenzoate; 2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-acetoxybenzoate; 2-amino-5-guanidino-valeric acid Formula: C15H21N4O6- MolecularWeight: 353.35044

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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)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C9H8O4.C6H14N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1