5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitrophenyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitrophenyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-(3,4-dimethylphenyl)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=C(N2C3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=C(N2C3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C(=O)O)C

InChI

InChI=1S/C21H20N2O5/c1-12-5-6-15(9-13(12)2)18-11-17(21(24)25)14(3)22(18)19-10-16(23(26)27)7-8-20(19)28-4/h5-11H,1-4H3,(H,24,25)