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

Systemtic Name: 2-(3,5-dinitrophenyl)-2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-6-oxo-pyrimidin-1-yl]-2-(3,5-dinitrophenyl)acetic acid CAS Name: 2-(3,5-dinitrophenyl)-2-[6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-(3,5-dinitrophenyl)-2-[6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-6-keto-pyrimidin-1-yl]-2-(3,5-dinitrophenyl)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=CN(C2=O)C(C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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