methyl 2-acetamido-3-(4-acetamido-3-nitro-phenyl)propanoate

Systemtic Name: methyl 2-acetamido-3-(4-acetamido-3-nitro-phenyl)propanoate Openeye Name: methyl 2-acetamido-3-(4-acetamido-3-nitro-phenyl)propanoate CAS Name: 2-acetamido-3-(4-acetamido-3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-acetamido-3-nitrophenyl)propanoate Traditional Name: 2-acetamido-3-(4-acetamido-3-nitro-phenyl)propionic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-8(18)15-11-5-4-10(7-13(11)17(21)22)6-12(14(20)23-3)16-9(2)19/h4-5,7,12H,6H2,1-3H3,(H,15,18)(H,16,19)