[4-(2,5-dimethylpyrrol-1-yl)phenyl] 2,4-dinitrobenzoate

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2,4-dinitrobenzoate Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(2,5-dimethyl-1-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-(2,5-dimethylpyrrol-1-yl)phenyl] ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H15N3O6/c1-12-3-4-13(2)20(12)14-5-8-16(9-6-14)28-19(23)17-10-7-15(21(24)25)11-18(17)22(26)27/h3-11H,1-2H3