(4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]methanone

Systemtic Name: (4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]methanone Openeye Name: (4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitro-phenyl]methanone CAS Name: (4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitrophenyl]methanone IUPAC Name: (4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-nitrophenyl]methanone Traditional Name: (4-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-methylol-1,2,4-triazol-4-yl]-5-nitro-phenyl]methanone Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl)CO

Isomeric SMILES

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C20H20ClN5O4/c1-24(2)10-9-18-22-23-19(12-27)25(18)17-8-7-15(26(29)30)11-16(17)20(28)13-3-5-14(21)6-4-13/h3-8,11,27H,9-10,12H2,1-2H3