4-azanyl-2-oxidanyl-benzoic acid; 2-diethylaminoethyl 4-azanyl-2-oxidanyl-benzoate

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; 2-diethylaminoethyl 4-azanyl-2-oxidanyl-benzoate Openeye Name: 4-amino-2-hydroxy-benzoic acid; 2-diethylaminoethyl 4-amino-2-hydroxy-benzoate CAS Name: 4-amino-2-hydroxybenzoic acid; 4-amino-2-hydroxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 4-amino-2-hydroxybenzoic acid; 2-diethylaminoethyl 4-amino-2-hydroxybenzoate Traditional Name: 4-amino-2-hydroxy-benzoic acid; 4-amino-2-hydroxy-benzoic acid 2-diethylaminoethyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)O.C1=CC(=C(C=C1N)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)O.C1=CC(=C(C=C1N)O)C(=O)O

InChI

InChI=1S/C13H20N2O3.C7H7NO3/c1-3-15(4-2)7-8-18-13(17)11-6-5-10(14)9-12(11)16;8-4-1-2-5(7(10)11)6(9)3-4/h5-6,9,16H,3-4,7-8,14H2,1-2H3;1-3,9H,8H2,(H,10,11)