ethyl 5-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(5-isopropoxy-4-methoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)-oxomethyl]-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxy-2-nitro-5-propan-2-yloxybenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(5-isopropoxy-4-methoxy-2-nitro-benzoyl)-2H-triazole-4-carboxylic acid ethyl ester Formula: C16H18N4O7 MolecularWeight: 378.33672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O7/c1-5-26-16(22)14-13(17-19-18-14)15(21)9-6-12(27-8(2)3)11(25-4)7-10(9)20(23)24/h6-8H,5H2,1-4H3,(H,17,18,19)