3,5-bis(chloranyl)-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]pyridine-4-carboxamide

Systemtic Name: 3,5-bis(chloranyl)-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]pyridine-4-carboxamide Openeye Name: 3,5-dichloro-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]pyridine-4-carboxamide CAS Name: 3,5-dichloro-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]-4-pyridinecarboxamide IUPAC Name: 3,5-dichloro-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]pyridine-4-carboxamide Traditional Name: 3,5-dichloro-2-[(2Z)-4-methoxy-1-methyl-2-(1-nitrosoethylidene)-3H-benzimidazol-1-ium-1-yl]isonicotinamide Formula: C17H16Cl2N5O3+ MolecularWeight: 409.24664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1NC2=C([N+]1(C)C3=NC=C(C(=C3Cl)C(=O)N)Cl)C=CC=C2OC)N=O

Isomeric SMILES

C/C(=C/1\NC2=C([N+]1(C)C3=NC=C(C(=C3Cl)C(=O)N)Cl)C=CC=C2OC)/N=O

InChI

InChI=1S/C17H15Cl2N5O3/c1-8(23-26)16-22-14-10(5-4-6-11(14)27-3)24(16,2)17-13(19)12(15(20)25)9(18)7-21-17/h4-7H,1-3H3,(H2-,20,22,25,26)/p+1