(4-bromanyl-2-carboxy-phenyl)-(carboxymethylimino)-[(2-methoxyphenyl)amino]azanium

Systemtic Name: (4-bromanyl-2-carboxy-phenyl)-(carboxymethylimino)-[(2-methoxyphenyl)amino]azanium Openeye Name: (4-bromo-2-carboxy-phenyl)-(carboxymethylimino)-(2-methoxyanilino)ammonium CAS Name: (4-bromo-2-carboxyphenyl)-(carboxymethylimino)-(2-methoxyanilino)ammonium IUPAC Name: (4-bromo-2-carboxyphenyl)-(carboxymethylimino)-(2-methoxyanilino)azanium Traditional Name: (4-bromo-2-carboxy-phenyl)-(carboxymethylimino)-(o-anisidino)ammonium Formula: C16H15BrN3O5+ MolecularWeight: 409.2114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N[N+](=NCC(=O)O)C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N[N+](=NCC(=O)O)C2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H14BrN3O5/c1-25-14-5-3-2-4-12(14)19-20(18-9-15(21)22)13-7-6-10(17)8-11(13)16(23)24/h2-8H,9H2,1H3,(H2-,18,19,21,22,23,24)/p+1