4-acetamido-5-[bis(azanyl)methylideneamino]-2-(3-methylbutoxy)benzoic acid

Systemtic Name: 4-acetamido-5-[bis(azanyl)methylideneamino]-2-(3-methylbutoxy)benzoic acid Openeye Name: 4-acetamido-5-guanidino-2-isopentyloxy-benzoic acid CAS Name: 4-acetamido-5-(diaminomethylideneamino)-2-(3-methylbutoxy)benzoic acid IUPAC Name: 4-acetamido-5-(diaminomethylideneamino)-2-(3-methylbutoxy)benzoic acid Traditional Name: 4-acetamido-5-guanidino-2-isoamoxy-benzoic acid Formula: C15H22N4O4 MolecularWeight: 322.35958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC(=C(C=C1C(=O)O)N=C(N)N)NC(=O)C

Isomeric SMILES

CC(C)CCOC1=CC(=C(C=C1C(=O)O)N=C(N)N)NC(=O)C

InChI

InChI=1S/C15H22N4O4/c1-8(2)4-5-23-13-7-12(18-9(3)20)11(19-15(16)17)6-10(13)14(21)22/h6-8H,4-5H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)