2-azanyl-4-[bis(azanyl)methylideneamino]oxy-butanoic acid; 2-phenyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 2-azanyl-4-[bis(azanyl)methylideneamino]oxy-butanoic acid; 2-phenyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 2-amino-4-guanidinooxy-butanoic acid; 2-phenylchromane-2-carboxylic acid CAS Name: 2-amino-4-(diaminomethylideneamino)oxybutanoic acid; 2-phenyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2-amino-4-(diaminomethylideneamino)oxybutanoic acid; 2-phenyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 2-amino-4-guanidinooxy-butyric acid; 2-phenylchroman-2-carboxylic acid Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC2=CC=CC=C21)(C3=CC=CC=C3)C(=O)O.C(CON=C(N)N)C(C(=O)O)N

Isomeric SMILES

C1CC(OC2=CC=CC=C21)(C3=CC=CC=C3)C(=O)O.C(CON=C(N)N)C(C(=O)O)N

InChI

InChI=1S/C16H14O3.C5H12N4O3/c17-15(18)16(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)19-16;6-3(4(10)11)1-2-12-9-5(7)8/h1-9H,10-11H2,(H,17,18);3H,1-2,6H2,(H,10,11)(H4,7,8,9)