ethyl 2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]ethanoate

Systemtic Name: ethyl 2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]ethanoate Openeye Name: ethyl 2-[(2-methyl-3,5-dinitro-benzoyl)amino]acetate CAS Name: 2-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]acetate Traditional Name: 2-[(2-methyl-3,5-dinitro-benzoyl)amino]acetic acid ethyl ester Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/c1-3-22-11(16)6-13-12(17)9-4-8(14(18)19)5-10(7(9)2)15(20)21/h4-5H,3,6H2,1-2H3,(H,13,17)