4-azanyl-N-(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butanamide

Systemtic Name: 4-azanyl-N-(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butanamide Openeye Name: 4-amino-N-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butanamide CAS Name: 4-amino-N-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butanamide IUPAC Name: 4-amino-N-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butanamide Traditional Name: 4-amino-N-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-2-(3,4-dichlorophenyl)butyramide Formula: C17H16Cl2N6O2 MolecularWeight: 407.25394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CCN)C(=O)NC2=CC3=C(C=C2)[N+](=NC(=N3)N)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CCN)C(=O)NC2=CC3=C(C=C2)[N+](=NC(=N3)N)[O-])Cl)Cl

InChI

InChI=1S/C17H16Cl2N6O2/c18-12-3-1-9(7-13(12)19)11(5-6-20)16(26)22-10-2-4-15-14(8-10)23-17(21)24-25(15)27/h1-4,7-8,11H,5-6,20H2,(H,22,26)(H2,21,23,24)