3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrophenyl)methylideneamino]propanamide

Systemtic Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrophenyl)methylideneamino]propanamide Openeye Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrophenyl)methyleneamino]propanamide CAS Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrophenyl)methylideneamino]propanamide IUPAC Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrophenyl)methylideneamino]propanamide Traditional Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-[(3-nitrobenzylidene)amino]propionamide Formula: C17H16N5O3+ MolecularWeight: 338.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c23-17(8-9-21-12-18-15-6-1-2-7-16(15)21)20-19-11-13-4-3-5-14(10-13)22(24)25/h1-7,10-12H,8-9H2,(H,20,23)/p+1