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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=CNC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C13H18N4O3/c14-13(15)16-7-1-2-11(12(19)20)17-8-9-3-5-10(18)6-4-9/h3-6,8,11,17H,1-2,7H2,(H,19,20)(H4,14,15,16)