(E)-1-[4-[bis(carboxymethyl)amino]-3-methoxy-phenyl]-2-diazonio-ethenolate

Systemtic Name: (E)-1-[4-[bis(carboxymethyl)amino]-3-methoxy-phenyl]-2-diazonio-ethenolate Openeye Name: (E)-1-[4-[bis(carboxymethyl)amino]-3-methoxy-phenyl]-2-diazonio-ethenolate CAS Name: (E)-1-[4-[bis(carboxymethyl)amino]-3-methoxyphenyl]-2-diazonioethenolate IUPAC Name: (E)-1-[4-[bis(carboxymethyl)amino]-3-methoxyphenyl]-2-diazonioethenolate Traditional Name: (E)-1-[4-[bis(carboxymethyl)amino]-3-methoxy-phenyl]-2-diazonio-ethenolate Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=C[N+]#N)[O-])N(CC(=O)O)CC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C(=C\[N+]#N)/[O-])N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C13H13N3O6/c1-22-11-4-8(10(17)5-15-14)2-3-9(11)16(6-12(18)19)7-13(20)21/h2-5H,6-7H2,1H3,(H2-,17,18,19,20,21)/b10-5+