(2,4-diaminocarbonyl-3-ethyl-6-nitro-phenyl)methyl ethanoate

Systemtic Name: (2,4-diaminocarbonyl-3-ethyl-6-nitro-phenyl)methyl ethanoate Openeye Name: (2,4-dicarbamoyl-3-ethyl-6-nitro-phenyl)methyl acetate CAS Name: acetic acid (2,4-dicarbamoyl-3-ethyl-6-nitrophenyl)methyl ester IUPAC Name: (2,4-dicarbamoyl-3-ethyl-6-nitrophenyl)methyl acetate Traditional Name: acetic acid (2,4-dicarbamoyl-3-ethyl-6-nitro-benzyl) ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C)C(=O)N

Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C)C(=O)N

InChI

InChI=1S/C13H15N3O6/c1-3-7-8(12(14)18)4-10(16(20)21)9(5-22-6(2)17)11(7)13(15)19/h4H,3,5H2,1-2H3,(H2,14,18)(H2,15,19)