2-[(5-bromanyl-2-nitro-phenyl)-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-2-nitro-phenyl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-(N-benzyl-5-bromo-2-nitro-anilino)acetic acid CAS Name: 2-(5-bromo-2-nitro-N-(phenylmethyl)anilino)acetic acid IUPAC Name: 2-(N-benzyl-5-bromo-2-nitroanilino)acetic acid Traditional Name: 2-(N-benzyl-5-bromo-2-nitro-anilino)acetic acid Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O4/c16-12-6-7-13(18(21)22)14(8-12)17(10-15(19)20)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,20)