4-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-3-nitro-benzoic acid Openeye Name: 4-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-amino]-3-nitro-benzoic acid CAS Name: 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-nitrobenzoic acid IUPAC Name: 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-nitrobenzoic acid Traditional Name: 4-[[2-(dimethylamino)-2-keto-ethyl]-methyl-amino]-3-nitro-benzoic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-13(2)11(16)7-14(3)9-5-4-8(12(17)18)6-10(9)15(19)20/h4-6H,7H2,1-3H3,(H,17,18)