1-[5-(dimethylcarbamoyl)-3-nitro-pyrrol-3-yl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[5-(dimethylcarbamoyl)-3-nitro-pyrrol-3-yl]pyrrole-2-carboxylic acid Openeye Name: 1-[5-(dimethylcarbamoyl)-3-nitro-pyrrol-3-yl]pyrrole-2-carboxylic acid CAS Name: 1-[5-[dimethylamino(oxo)methyl]-3-nitro-3-pyrrolyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[5-(dimethylcarbamoyl)-3-nitropyrrol-3-yl]pyrrole-2-carboxylic acid Traditional Name: 1-[5-(dimethylcarbamoyl)-3-nitro-pyrrol-3-yl]pyrrole-2-carboxylic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(C=N1)(N2C=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=CC(C=N1)(N2C=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5/c1-14(2)10(17)8-6-12(7-13-8,16(20)21)15-5-3-4-9(15)11(18)19/h3-7H,1-2H3,(H,18,19)