2-[2-(3,5-dinitrophenyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3,5-dinitrophenyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-2-(3,5-dinitrophenyl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(3,5-dinitrophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(3,5-dinitrophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-2-(3,5-dinitrophenyl)-6-keto-pyrimidin-1-yl]acetic acid Formula: C20H15N5O9 MolecularWeight: 469.3612

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O9/c26-17(27)10-23-18(13-6-14(24(30)31)8-15(7-13)25(32)33)21-9-16(19(23)28)22-20(29)34-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,29)(H,26,27)