methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H13ClN4O4S MolecularWeight: 416.83822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O4S/c1-27-18(24)13-4-2-3-5-14(13)22-16-15(23(25)26)17(21-10-20-16)28-12-8-6-11(19)7-9-12/h2-10H,1H3,(H,20,21,22)