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

Systemtic Name: 4-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[2-(dimethylamino)-2-oxo-ethyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[2-(dimethylamino)-2-oxoethyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[2-(dimethylamino)-2-oxoethyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[2-(dimethylamino)-2-keto-ethyl]amino]-3-nitro-benzoic acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c1-13(2)10(15)6-12-8-4-3-7(11(16)17)5-9(8)14(18)19/h3-5,12H,6H2,1-2H3,(H,16,17)