diethyl 2-acetamido-2-[(4-bromanyl-2-nitro-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-bromanyl-2-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-bromo-2-nitro-phenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-bromo-2-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-bromo-2-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(4-bromo-2-nitro-benzyl)malonic acid diethyl ester Formula: C16H19BrN2O7 MolecularWeight: 431.23526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C(C=C1)Br)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C(C=C1)Br)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H19BrN2O7/c1-4-25-14(21)16(18-10(3)20,15(22)26-5-2)9-11-6-7-12(17)8-13(11)19(23)24/h6-8H,4-5,9H2,1-3H3,(H,18,20)