methyl 3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-keto-2-(methylamino)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-13-10(16)6-14-11(17)7-3-8(12(18)21-2)5-9(4-7)15(19)20/h3-5H,6H2,1-2H3,(H,13,16)(H,14,17)