1-chloroethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-chloroethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: 1-chloroethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2H-triazole-4-carboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylic acid 1-chloroethyl ester Formula: C14H13ClN4O7 MolecularWeight: 384.72862

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Cl

Isomeric SMILES

CC(OC(=O)C1=NNN=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Cl

InChI

InChI=1S/C14H13ClN4O7/c1-6(15)26-14(21)12-11(16-18-17-12)13(20)7-4-9(24-2)10(25-3)5-8(7)19(22)23/h4-6H,1-3H3,(H,16,17,18)