methyl 2-acetamido-2-methyl-3-[3-nitro-4-(propanoylamino)phenyl]propanoate

Systemtic Name: methyl 2-acetamido-2-methyl-3-[3-nitro-4-(propanoylamino)phenyl]propanoate Openeye Name: methyl 2-acetamido-2-methyl-3-[3-nitro-4-(propanoylamino)phenyl]propanoate CAS Name: 2-acetamido-2-methyl-3-[3-nitro-4-(1-oxopropylamino)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-2-methyl-3-[3-nitro-4-(propanoylamino)phenyl]propanoate Traditional Name: 2-acetamido-2-methyl-3-(3-nitro-4-propionamido-phenyl)propionic acid methyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-5-14(21)17-12-7-6-11(8-13(12)19(23)24)9-16(3,15(22)25-4)18-10(2)20/h6-8H,5,9H2,1-4H3,(H,17,21)(H,18,20)