ethyl 2-[(3,5-dinitrophenyl)carbonylamino]propanoate

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]propanoate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]propanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]propanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]propionic acid ethyl ester Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

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