O3-(1-azanyl-1-oxidanylidene-propan-2-yl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(1-azanyl-1-oxidanylidene-propan-2-yl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(2-amino-1-methyl-2-oxo-ethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-amino-1-oxopropan-2-yl) ester O1-methyl ester IUPAC Name: 3-O-(1-amino-1-oxopropan-2-yl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-amino-2-keto-1-methyl-ethyl) ester O1-methyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c1-6(10(13)15)21-12(17)8-3-7(11(16)20-2)4-9(5-8)14(18)19/h3-6H,1-2H3,(H2,13,15)