(3-bromophenyl) 6-(aminomethyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (3-bromophenyl) 6-(aminomethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (3-bromophenyl) 6-(aminomethyl)-2-oxo-chromene-3-carboxylate CAS Name: 6-(aminomethyl)-2-oxo-1-benzopyran-3-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 6-(aminomethyl)-2-oxochromene-3-carboxylate Traditional Name: 6-(aminomethyl)-2-keto-chromene-3-carboxylic acid (3-bromophenyl) ester Formula: C17H12BrNO4 MolecularWeight: 374.18548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OC(=O)C2=CC3=C(C=CC(=C3)CN)OC2=O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC(=O)C2=CC3=C(C=CC(=C3)CN)OC2=O

InChI

InChI=1S/C17H12BrNO4/c18-12-2-1-3-13(8-12)22-16(20)14-7-11-6-10(9-19)4-5-15(11)23-17(14)21/h1-8H,9,19H2