methyl [[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]-[(2-nitrophenyl)carbonylcarbamoyl]amino]sulfanylmethanoate

Systemtic Name: methyl [[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]-[(2-nitrophenyl)carbonylcarbamoyl]amino]sulfanylmethanoate Openeye Name: methyl [4-(5-chloropyrimidin-2-yl)oxy-3-methyl-N-[(2-nitrobenzoyl)carbamoyl]anilino]sulfanylformate CAS Name: [[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methyl-N-[[[(2-nitrophenyl)-oxomethyl]amino]-oxomethyl]anilino]thio]formic acid methyl ester IUPAC Name: methyl [4-(5-chloropyrimidin-2-yl)oxy-3-methyl-N-[(2-nitrobenzoyl)carbamoyl]anilino]sulfanylformate Traditional Name: [[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-N-[(2-nitrobenzoyl)carbamoyl]anilino]thio]formic acid methyl ester Formula: C21H16ClN5O7S MolecularWeight: 517.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])SC(=O)OC)OC3=NC=C(C=N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])SC(=O)OC)OC3=NC=C(C=N3)Cl

InChI

InChI=1S/C21H16ClN5O7S/c1-12-9-14(7-8-17(12)34-19-23-10-13(22)11-24-19)26(35-21(30)33-2)20(29)25-18(28)15-5-3-4-6-16(15)27(31)32/h3-11H,1-2H3,(H,25,28,29)