methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(3-methyl-4-nitro-benzoyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(3-methyl-4-nitrobenzoyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(3-methyl-4-nitro-benzoyl)amino]propionic acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-7-5-8(3-4-10(7)14(18)19)11(16)13-9(6-15)12(17)20-2/h3-5,9,15H,6H2,1-2H3,(H,13,16)