2-[(2-aminophenyl)carbonyl-(cyanoiminomethyl)amino]ethanoyl 5-azanylpent-4-ynoate

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(cyanoiminomethyl)amino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[(2-aminobenzoyl)-(cyanoiminomethyl)amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [2-[[(2-aminophenyl)-oxomethyl]-(cyanoiminomethyl)amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(cyanoiminomethyl)amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[anthraniloyl(cyanoiminomethyl)amino]acetyl] ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4/c17-8-4-3-7-14(22)25-15(23)9-21(11-20-10-18)16(24)12-5-1-2-6-13(12)19/h1-2,5-6,11H,3,7,9,17,19H2