2-[[2-[bis(azanyl)methylideneamino]-4-chloranyl-phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate

Systemtic Name: 2-[[2-[bis(azanyl)methylideneamino]-4-chloranyl-phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[(4-chloro-2-guanidino-benzoyl)amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [2-[[[4-chloro-2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[4-chloro-2-(diaminomethylideneamino)benzoyl]amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[(4-chloro-2-guanidino-benzoyl)amino]acetyl] ester Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N=C(N)N)C(=O)NCC(=O)OC(=O)CCC#CN

Isomeric SMILES

C1=CC(=C(C=C1Cl)N=C(N)N)C(=O)NCC(=O)OC(=O)CCC#CN

InChI

InChI=1S/C15H16ClN5O4/c16-9-4-5-10(11(7-9)21-15(18)19)14(24)20-8-13(23)25-12(22)3-1-2-6-17/h4-5,7H,1,3,8,17H2,(H,20,24)(H4,18,19,21)