4-(2-diethylaminoethylcarbamoyl)-2-(pyrrolidin-1-yldiazenyl)benzoic acid

Systemtic Name: 4-(2-diethylaminoethylcarbamoyl)-2-(pyrrolidin-1-yldiazenyl)benzoic acid Openeye Name: 4-(2-diethylaminoethylcarbamoyl)-2-pyrrolidin-1-ylazo-benzoic acid CAS Name: 4-[(2-diethylaminoethylamino)-oxomethyl]-2-(1-pyrrolidinylazo)benzoic acid IUPAC Name: 4-(2-diethylaminoethylcarbamoyl)-2-(pyrrolidin-1-yldiazenyl)benzoic acid Traditional Name: 4-(2-diethylaminoethylcarbamoyl)-2-pyrrolidinoazo-benzoic acid Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)C(=O)O)N=NN2CCCC2

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)C(=O)O)N=NN2CCCC2

InChI

InChI=1S/C18H27N5O3/c1-3-22(4-2)12-9-19-17(24)14-7-8-15(18(25)26)16(13-14)20-21-23-10-5-6-11-23/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,24)(H,25,26)