(phenylmethyl) N-[1-[2-(3,5-dinitrophenyl)ethanoyl]-6-oxidanylidene-pyrimidin-5-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(3,5-dinitrophenyl)ethanoyl]-6-oxidanylidene-pyrimidin-5-yl]carbamate Openeye Name: benzyl N-[1-[2-(3,5-dinitrophenyl)acetyl]-6-oxo-pyrimidin-5-yl]carbamate CAS Name: N-[1-[2-(3,5-dinitrophenyl)-1-oxoethyl]-6-oxo-5-pyrimidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(3,5-dinitrophenyl)acetyl]-6-oxopyrimidin-5-yl]carbamate Traditional Name: N-[1-[2-(3,5-dinitrophenyl)acetyl]-6-keto-pyrimidin-5-yl]carbamic acid benzyl ester Formula: C20H15N5O8 MolecularWeight: 453.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(=O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(=O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O8/c26-18(8-14-6-15(24(29)30)9-16(7-14)25(31)32)23-12-21-10-17(19(23)27)22-20(28)33-11-13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,22,28)