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N3P

Summary
Name:N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
Formula:C17 H13 Cl N O5 P
Formal charge:0
Formula weight:377.716 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphate
OpenEye OEToolkits1.5.0[3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3ccc(NC(=O)c2cc1ccccc1cc2OP(=O)(O)O)cc3
SMILES_CANONICALCACTVS3.341O[P](O)(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3
SMILESCACTVS3.341O[P](O)(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O
InChIInChI1.03InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)
InChIKeyInChI1.03RQAQWBFHPMSXKR-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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