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

Systemtic Name: 2-(4-nitrophenyl)-2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-6-oxo-pyrimidin-1-yl]-2-(4-nitrophenyl)acetic acid CAS Name: 2-(4-nitrophenyl)-2-[6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-(4-nitrophenyl)-2-[6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-6-keto-pyrimidin-1-yl]-2-(4-nitrophenyl)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=CN(C2=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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