3-[[2,5-bis(chloranyl)-4-pyrrol-1-yl-phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[2,5-bis(chloranyl)-4-pyrrol-1-yl-phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2,5-dichloro-4-pyrrol-1-yl-phenyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2,5-dichloro-4-(1-pyrrolyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2,5-dichloro-4-pyrrol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(2,5-dichloro-4-pyrrol-1-yl-phenyl)carbamoyl]pyrazinoic acid Formula: C16H10Cl2N4O3 MolecularWeight: 377.1816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2Cl)NC(=O)C3=NC=CN=C3C(=O)O)Cl

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2Cl)NC(=O)C3=NC=CN=C3C(=O)O)Cl

InChI

InChI=1S/C16H10Cl2N4O3/c17-9-8-12(22-5-1-2-6-22)10(18)7-11(9)21-15(23)13-14(16(24)25)20-4-3-19-13/h1-8H,(H,21,23)(H,24,25)