5-[bis(azanyl)methylideneamino]-2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]pentanoic acid Traditional Name: 5-guanidino-2-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]valeric acid Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC(CCCN=C(N)N)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=CC(=CNC(CCCN=C(N)N)C(=O)O)C(=O)C=C1

InChI

InChI=1S/C13H18N4O3/c14-13(15)16-7-3-5-10(12(19)20)17-8-9-4-1-2-6-11(9)18/h1-2,4,6,8,10,17H,3,5,7H2,(H,19,20)(H4,14,15,16)