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

Systemtic Name: 2-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]acetic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC(=O)N(C=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC(=O)N(C=C2)CC(=O)O

InChI

InChI=1S/C14H13N3O5/c18-12(19)8-17-7-6-11(15-13(17)20)16-14(21)22-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H,15,16,20,21)