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

Systemtic Name: 2-[2-(4-nitrophenyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-2-(4-nitrophenyl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(4-nitrophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(4-nitrophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-6-keto-2-(4-nitrophenyl)pyrimidin-1-yl]acetic acid Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O7/c25-17(26)11-23-18(14-6-8-15(9-7-14)24(29)30)21-10-16(19(23)27)22-20(28)31-12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,28)(H,25,26)