4-bromanyl-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-bromanyl-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: 3-(benzyloxycarbonylamino)-4-bromo-butanoate CAS Name: 4-bromo-3-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-bromo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-bromo-butyrate Formula: C12H13BrNO4- MolecularWeight: 315.13992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)[O-])CBr

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)[O-])CBr

InChI

InChI=1S/C12H14BrNO4/c13-7-10(6-11(15)16)14-12(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16)/p-1