2-[(3-bromophenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(3-bromophenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-(3-bromoanilino)-3,5-dinitro-benzoic acid CAS Name: 2-(3-bromoanilino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(3-bromoanilino)-3,5-dinitrobenzoic acid Traditional Name: 2-(3-bromoanilino)-3,5-dinitro-benzoic acid Formula: C13H8BrN3O6 MolecularWeight: 382.12312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8BrN3O6/c14-7-2-1-3-8(4-7)15-12-10(13(18)19)5-9(16(20)21)6-11(12)17(22)23/h1-6,15H,(H,18,19)