2-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl 3-azanylprop-2-ynoate

Systemtic Name: 2-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl 3-azanylprop-2-ynoate Openeye Name: [2-[(2-guanidinobenzoyl)amino]acetyl] 3-aminoprop-2-ynoate CAS Name: 3-amino-2-propynoic acid [2-[[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(diaminomethylideneamino)benzoyl]amino]acetyl] 3-aminoprop-2-ynoate Traditional Name: 3-aminopropiolic acid [2-[(2-guanidinobenzoyl)amino]acetyl] ester Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4/c14-6-5-10(19)22-11(20)7-17-12(21)8-3-1-2-4-9(8)18-13(15)16/h1-4H,7,14H2,(H,17,21)(H4,15,16,18)