(E)-5-azanyl-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-1-diazonio-6-oxidanylidene-hex-1-en-2-olate

Systemtic Name: (E)-5-azanyl-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-1-diazonio-6-oxidanylidene-hex-1-en-2-olate Openeye Name: (E)-5-amino-6-[benzyloxycarbonyl(carboxymethyl)amino]-1-diazonio-6-oxo-hex-1-en-2-olate CAS Name: (E)-5-amino-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-1-diazonio-6-oxo-1-hexen-2-olate IUPAC Name: (E)-5-amino-6-[carboxymethyl(phenylmethoxycarbonyl)amino]-1-diazonio-6-oxohex-1-en-2-olate Traditional Name: (E)-5-amino-6-[carbobenzoxy(carboxymethyl)amino]-1-diazonio-6-keto-hex-1-en-2-olate Formula: C16H18N4O6 MolecularWeight: 362.33732

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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)/b12-8+