methyl 2-[(2,6-dimethylphenyl)-(3-nitro-4-oxidanyl-phenyl)carbonyl-amino]propanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(3-nitro-4-oxidanyl-phenyl)carbonyl-amino]propanoate Openeye Name: methyl 2-(N-(4-hydroxy-3-nitro-benzoyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[(4-hydroxy-3-nitrophenyl)-oxomethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(4-hydroxy-3-nitrobenzoyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-(4-hydroxy-3-nitro-benzoyl)-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-11-6-5-7-12(2)17(11)20(13(3)19(24)27-4)18(23)14-8-9-16(22)15(10-14)21(25)26/h5-10,13,22H,1-4H3