[5-bromanyl-2-[(2,4-dinitrophenyl)carbonylamino]phenyl] 2,4-dinitrobenzoate

Systemtic Name: [5-bromanyl-2-[(2,4-dinitrophenyl)carbonylamino]phenyl] 2,4-dinitrobenzoate Openeye Name: [5-bromo-2-[(2,4-dinitrobenzoyl)amino]phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [5-bromo-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [5-bromo-2-[(2,4-dinitrobenzoyl)amino]phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [5-bromo-2-[(2,4-dinitrobenzoyl)amino]phenyl] ester Formula: C20H10BrN5O11 MolecularWeight: 576.2243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Br)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Br)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H10BrN5O11/c21-10-1-6-15(22-19(27)13-4-2-11(23(29)30)8-16(13)25(33)34)18(7-10)37-20(28)14-5-3-12(24(31)32)9-17(14)26(35)36/h1-9H,(H,22,27)