diethyl 2-acetamido-2-[(4-acetamido-3-nitro-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-acetamido-3-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-acetamido-3-nitro-phenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-acetamido-3-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-acetamido-3-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(4-acetamido-3-nitro-benzyl)malonic acid diethyl ester Formula: C18H23N3O8 MolecularWeight: 409.39052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O8/c1-5-28-16(24)18(20-12(4)23,17(25)29-6-2)10-13-7-8-14(19-11(3)22)15(9-13)21(26)27/h7-9H,5-6,10H2,1-4H3,(H,19,22)(H,20,23)