(E)-5-azanyl-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium

Systemtic Name: (E)-5-azanyl-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium Openeye Name: (E)-5-amino-6-[benzyloxycarbonyl(carboxymethyl)amino]-2-hydroxy-6-oxo-hex-1-ene-1-diazonium CAS Name: (E)-5-amino-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-2-hydroxy-6-oxo-1-hexene-1-diazonium IUPAC Name: (E)-5-amino-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-2-hydroxy-6-oxohex-1-ene-1-diazonium Traditional Name: (E)-5-amino-6-[carbobenzoxy(carboxymethyl)amino]-2-hydroxy-6-keto-hex-1-ene-1-diazonium Formula: C16H19N4O6+ MolecularWeight: 363.34526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC(=O)O)C(=O)C(CCC(=C[N+]#N)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC(=O)O)C(=O)C(CC/C(=C\[N+]#N)/O)N

InChI

InChI=1S/C16H18N4O6/c17-13(7-6-12(21)8-19-18)15(24)20(9-14(22)23)16(25)26-10-11-4-2-1-3-5-11/h1-5,8,13H,6-7,9-10,17H2,(H-,21,22,23)/p+1/b12-8+