4-[(2Z)-3-methyl-2-(nitrosomethylidene)imidazol-1-yl]butyl 2-oxidanylbenzoate

Systemtic Name: 4-[(2Z)-3-methyl-2-(nitrosomethylidene)imidazol-1-yl]butyl 2-oxidanylbenzoate Openeye Name: 4-[(2Z)-3-methyl-2-(nitrosomethylene)imidazol-1-yl]butyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid 4-[(2Z)-3-methyl-2-(nitrosomethylidene)-1-imidazolyl]butyl ester IUPAC Name: 4-[(2Z)-3-methyl-2-(nitrosomethylidene)imidazol-1-yl]butyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 4-[(2Z)-3-methyl-2-(nitrosomethylene)-4-imidazolin-1-yl]butyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=CN=O)CCCCOC(=O)C2=CC=CC=C2O

Isomeric SMILES

CN\1C=CN(/C1=C\N=O)CCCCOC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C16H19N3O4/c1-18-9-10-19(15(18)12-17-22)8-4-5-11-23-16(21)13-6-2-3-7-14(13)20/h2-3,6-7,9-10,12,20H,4-5,8,11H2,1H3/b15-12-