methyl 4-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O4/c1-7-12(13(8(2)16-7)14(18)21-3)9-4-5-10(15)11(6-9)17(19)20/h4-6,16H,1-3H3