[2-[(3,5-dinitrophenyl)carbamoyloxy]-2-phenyl-ethyl] N-(3,5-dinitrophenyl)carbamate

Systemtic Name: [2-[(3,5-dinitrophenyl)carbamoyloxy]-2-phenyl-ethyl] N-(3,5-dinitrophenyl)carbamate Openeye Name: [2-[(3,5-dinitrophenyl)carbamoyloxy]-2-phenyl-ethyl] N-(3,5-dinitrophenyl)carbamate CAS Name: N-(3,5-dinitrophenyl)carbamic acid [2-[(3,5-dinitroanilino)-oxomethoxy]-2-phenylethyl] ester IUPAC Name: [2-[(3,5-dinitrophenyl)carbamoyloxy]-2-phenylethyl] N-(3,5-dinitrophenyl)carbamate Traditional Name: N-(3,5-dinitrophenyl)carbamic acid [2-[(3,5-dinitrophenyl)carbamoyloxy]-2-phenyl-ethyl] ester Formula: C22H16N6O12 MolecularWeight: 556.39544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(COC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O12/c29-21(23-14-6-16(25(31)32)10-17(7-14)26(33)34)39-12-20(13-4-2-1-3-5-13)40-22(30)24-15-8-18(27(35)36)11-19(9-15)28(37)38/h1-11,20H,12H2,(H,23,29)(H,24,30)