2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid 2-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)ethyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid 2-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC(=CN2C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC(=CN2C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H22N2O5/c1-12(2)16-6-5-15(9-13(16)3)24-7-8-25-18(21)17-10-14(20(22)23)11-19(17)4/h5-6,9-12H,7-8H2,1-4H3