4-[(3-bromophenyl)amino]-3,5-dinitro-benzoate

Systemtic Name: 4-[(3-bromophenyl)amino]-3,5-dinitro-benzoate Openeye Name: 4-(3-bromoanilino)-3,5-dinitro-benzoate CAS Name: 4-(3-bromoanilino)-3,5-dinitrobenzoate IUPAC Name: 4-(3-bromoanilino)-3,5-dinitrobenzoate Traditional Name: 4-(3-bromoanilino)-3,5-dinitro-benzoate Formula: C13H7BrN3O6- MolecularWeight: 381.11518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

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