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

Systemtic Name: methyl 4-[(4-bromophenyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-(4-bromoanilino)-3,5-dinitro-benzoate CAS Name: 4-(4-bromoanilino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-bromoanilino)-3,5-dinitrobenzoate Traditional Name: 4-(4-bromoanilino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H10BrN3O6 MolecularWeight: 396.1497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O6/c1-24-14(19)8-6-11(17(20)21)13(12(7-8)18(22)23)16-10-4-2-9(15)3-5-10/h2-7,16H,1H3