4-[1-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridin-3-yl]benzoic acid

Systemtic Name: 4-[1-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridin-3-yl]benzoic acid Openeye Name: 4-[1-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-6-oxo-3-pyridyl]benzoic acid CAS Name: 4-[1-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]benzoic acid IUPAC Name: 4-[1-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-6-oxopyridin-3-yl]benzoic acid Traditional Name: 4-[1-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-6-keto-3-pyridyl]benzoic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CN1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)CN1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H21N3O4/c1-20(2)10-9-19-16(22)12-21-11-15(7-8-17(21)23)13-3-5-14(6-4-13)18(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)(H,24,25)