ethyl 4-[(3-acetamido-2,2-dinitro-propyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-acetamido-2,2-dinitro-propyl)amino]benzoate Openeye Name: ethyl 4-[(3-acetamido-2,2-dinitro-propyl)amino]benzoate CAS Name: 4-[(3-acetamido-2,2-dinitropropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-acetamido-2,2-dinitropropyl)amino]benzoate Traditional Name: 4-[(3-acetamido-2,2-dinitro-propyl)amino]benzoic acid ethyl ester Formula: C14H18N4O7 MolecularWeight: 354.31532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O7/c1-3-25-13(20)11-4-6-12(7-5-11)16-9-14(17(21)22,18(23)24)8-15-10(2)19/h4-7,16H,3,8-9H2,1-2H3,(H,15,19)