N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-1H-pyrazol-2-ium-3-carboxamide Formula: C18H15N6O3+ MolecularWeight: 363.3501

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C[N+]1=C(C(=CN1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H14N6O3/c1-23-16(15(10-19-23)24(26)27)18(25)20-12-8-6-11(7-9-12)17-21-13-4-2-3-5-14(13)22-17/h2-10H,1H3,(H2,19,20,21,22,25)/p+1