4-[(6-bromanyl-3,4-dihydro-2H-chromen-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-bromanyl-3,4-dihydro-2H-chromen-4-yl)amino]benzoic acid Openeye Name: 4-[(6-bromochroman-4-yl)amino]benzoic acid CAS Name: 4-[(6-bromo-3,4-dihydro-2H-1-benzopyran-4-yl)amino]benzoic acid IUPAC Name: 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]benzoic acid Traditional Name: 4-[(6-bromochroman-4-yl)amino]benzoic acid Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1NC3=CC=C(C=C3)C(=O)O)C=C(C=C2)Br

Isomeric SMILES

C1COC2=C(C1NC3=CC=C(C=C3)C(=O)O)C=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO3/c17-11-3-6-15-13(9-11)14(7-8-21-15)18-12-4-1-10(2-5-12)16(19)20/h1-6,9,14,18H,7-8H2,(H,19,20)