2-[2-[(2-aminophenyl)carbonyl-(cyanoiminomethyl)amino]ethanoyl]-5-azanyl-pent-4-ynoic acid

Systemtic Name: 2-[2-[(2-aminophenyl)carbonyl-(cyanoiminomethyl)amino]ethanoyl]-5-azanyl-pent-4-ynoic acid Openeye Name: 5-amino-2-[2-[(2-aminobenzoyl)-(cyanoiminomethyl)amino]acetyl]pent-4-ynoic acid CAS Name: 5-amino-2-[2-[[(2-aminophenyl)-oxomethyl]-(cyanoiminomethyl)amino]-1-oxoethyl]-4-pentynoic acid IUPAC Name: 5-amino-2-[2-[(2-aminobenzoyl)-(cyanoiminomethyl)amino]acetyl]pent-4-ynoic acid Traditional Name: 5-amino-2-[2-[anthraniloyl(cyanoiminomethyl)amino]acetyl]pent-4-ynoic acid 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)C(CC#CN)C(=O)O)C=NC#N)N

Isomeric SMILES

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

InChI

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