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

Systemtic Name: 4-[3-(4-chlorophenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]butanamide Openeye Name: 4-[3-(4-chlorobenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]butanamide CAS Name: 4-[3-[(4-chlorophenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[3-(4-chlorobenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]butanamide Traditional Name: 4-[3-(4-chlorobenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]butyramide Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O5/c19-12-5-3-11(4-6-12)18(25)17-14-8-7-13(23(27)28)10-15(14)22(26)21(17)9-1-2-16(20)24/h3-8,10H,1-2,9H2,(H2,20,24)