methyl 1-(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylpyrrole-2-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylpyrrole-2-carboxylate Openeye Name: methyl 1-(3-benzyloxy-4-methyl-2-nitro-benzoyl)pyrrole-2-carboxylate CAS Name: 1-[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-2-nitro-3-phenylmethoxybenzoyl)pyrrole-2-carboxylate Traditional Name: 1-(3-benzoxy-4-methyl-2-nitro-benzoyl)pyrrole-2-carboxylic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)N2C=CC=C2C(=O)OC)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)N2C=CC=C2C(=O)OC)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O6/c1-14-10-11-16(20(24)22-12-6-9-17(22)21(25)28-2)18(23(26)27)19(14)29-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3