(4-nitrophenyl)methyl 2-[(3,5-dinitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3,5-dinitrophenyl)carbonylamino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3,5-dinitrobenzoyl)amino]acetate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3,5-dinitrobenzoyl)amino]acetate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]acetic acid (4-nitrobenzyl) ester Formula: C16H12N4O9 MolecularWeight: 404.28788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O9/c21-15(29-9-10-1-3-12(4-2-10)18(23)24)8-17-16(22)11-5-13(19(25)26)7-14(6-11)20(27)28/h1-7H,8-9H2,(H,17,22)