2-[(3,5-dinitrophenyl)methyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)methyl-phenyl-amino]ethanoic acid Openeye Name: 2-[N-[(3,5-dinitrophenyl)methyl]anilino]acetic acid CAS Name: 2-[N-[(3,5-dinitrophenyl)methyl]anilino]acetic acid IUPAC Name: 2-[N-[(3,5-dinitrophenyl)methyl]anilino]acetic acid Traditional Name: 2-(N-(3,5-dinitrobenzyl)anilino)acetic acid Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C15H13N3O6/c19-15(20)10-16(12-4-2-1-3-5-12)9-11-6-13(17(21)22)8-14(7-11)18(23)24/h1-8H,9-10H2,(H,19,20)