2-[(4-bromanyl-5-methyl-2-nitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-5-methyl-2-nitro-phenyl)amino]ethanoic acid Openeye Name: 2-(4-bromo-5-methyl-2-nitro-anilino)acetic acid CAS Name: 2-(4-bromo-5-methyl-2-nitroanilino)acetic acid IUPAC Name: 2-(4-bromo-5-methyl-2-nitroanilino)acetic acid Traditional Name: 2-(4-bromo-5-methyl-2-nitro-anilino)acetic acid Formula: C9H9BrN2O4 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C9H9BrN2O4/c1-5-2-7(11-4-9(13)14)8(12(15)16)3-6(5)10/h2-3,11H,4H2,1H3,(H,13,14)