3-[(2-azanyl-5-bromanyl-3-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(2-azanyl-5-bromanyl-3-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(2-amino-5-bromo-3-nitro-anilino)propanoic acid CAS Name: 3-(2-amino-5-bromo-3-nitroanilino)propanoic acid IUPAC Name: 3-(2-amino-5-bromo-3-nitroanilino)propanoic acid Traditional Name: 3-(2-amino-5-bromo-3-nitro-anilino)propionic acid Formula: C9H10BrN3O4 MolecularWeight: 304.0974

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N)NCCC(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N)NCCC(=O)O)Br

InChI

InChI=1S/C9H10BrN3O4/c10-5-3-6(12-2-1-8(14)15)9(11)7(4-5)13(16)17/h3-4,12H,1-2,11H2,(H,14,15)