3-[(5-chloranylpyridin-2-yl)carbamoyl]-1-methyl-4-nitro-pyrrole-2-carboxylic acid

Systemtic Name: 3-[(5-chloranylpyridin-2-yl)carbamoyl]-1-methyl-4-nitro-pyrrole-2-carboxylic acid Openeye Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-1-methyl-4-nitro-pyrrole-2-carboxylic acid CAS Name: 3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-methyl-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 3-[(5-chloropyridin-2-yl)carbamoyl]-1-methyl-4-nitropyrrole-2-carboxylic acid Traditional Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-1-methyl-4-nitro-pyrrole-2-carboxylic acid Formula: C12H9ClN4O5 MolecularWeight: 324.67666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)O)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=C1C(=O)O)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O5/c1-16-5-7(17(21)22)9(10(16)12(19)20)11(18)15-8-3-2-6(13)4-14-8/h2-5H,1H3,(H,19,20)(H,14,15,18)