N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-N-(2-nitrophenyl)sulfamate

Systemtic Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-N-(2-nitrophenyl)sulfamate Openeye Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-N-(2-nitrophenyl)sulfamate CAS Name: N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-N-(2-nitrophenyl)sulfamate IUPAC Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-N-(2-nitrophenyl)sulfamate Traditional Name: N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-N-(2-nitrophenyl)sulfamate Formula: C13H12N5O8S- MolecularWeight: 398.32808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)[O-])OC

InChI

InChI=1S/C13H13N5O8S/c1-25-10-7-11(26-2)15-12(14-10)16-13(19)17(27(22,23)24)8-5-3-4-6-9(8)18(20)21/h3-7H,1-2H3,(H,22,23,24)(H,14,15,16,19)/p-1