2-[bis(cyanomethyl)amino]-4-bromanyl-benzoic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]-4-bromanyl-benzoic acid Openeye Name: 2-[bis(cyanomethyl)amino]-4-bromo-benzoic acid CAS Name: 2-[bis(cyanomethyl)amino]-4-bromobenzoic acid IUPAC Name: 2-[bis(cyanomethyl)amino]-4-bromobenzoic acid Traditional Name: 2-[bis(cyanomethyl)amino]-4-bromo-benzoic acid Formula: C11H8BrN3O2 MolecularWeight: 294.10412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C11H8BrN3O2/c12-8-1-2-9(11(16)17)10(7-8)15(5-3-13)6-4-14/h1-2,7H,5-6H2,(H,16,17)