2-[4-chloranyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[4-chloro-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-keto-pyrimidin-1-yl]acetic acid Formula: C14H12ClN3O5 MolecularWeight: 337.71518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(N=CN(C2=O)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(N=CN(C2=O)CC(=O)O)Cl

InChI

InChI=1S/C14H12ClN3O5/c15-12-11(13(21)18(8-16-12)6-10(19)20)17-14(22)23-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,22)(H,19,20)