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

Systemtic Name: ethyl 4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN4O4S/c1-2-28-19(25)12-3-7-14(8-4-12)23-17-16(24(26)27)18(22-11-21-17)29-15-9-5-13(20)6-10-15/h3-11H,2H2,1H3,(H,21,22,23)