4-[3-(4-methylphenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]butanamide

Systemtic Name: 4-[3-(4-methylphenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]butanamide Openeye Name: 4-[3-(4-methylbenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]butanamide CAS Name: 4-[3-[(4-methylphenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[3-(4-methylbenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]butanamide Traditional Name: 4-(6-nitro-1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)butyramide Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-12-4-6-13(7-5-12)19(25)18-15-9-8-14(23(27)28)11-16(15)22(26)21(18)10-2-3-17(20)24/h4-9,11H,2-3,10H2,1H3,(H2,20,24)