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

Systemtic Name: methyl 3-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(dimethylamino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-15(2)12(18)8-16(3)13(19)9-5-10(14(20)23-4)7-11(6-9)17(21)22/h5-7H,8H2,1-4H3