4-[2-azanyl-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid

Systemtic Name: 4-[2-azanyl-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid Openeye Name: 4-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid CAS Name: 4-[2-amino-3-cyano-7-(dimethylamino)-4H-1-benzopyran-4-yl]benzoic acid IUPAC Name: 4-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid Traditional Name: 4-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O3/c1-22(2)13-7-8-14-16(9-13)25-18(21)15(10-20)17(14)11-3-5-12(6-4-11)19(23)24/h3-9,17H,21H2,1-2H3,(H,23,24)