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

Systemtic Name: 4-[3-(4-chlorophenyl)carbonyl-6-methoxy-1-oxidanidyl-indazol-1-ium-2-yl]butanamide Openeye Name: 4-[3-(4-chlorobenzoyl)-6-methoxy-1-oxido-indazol-1-ium-2-yl]butanamide CAS Name: 4-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-1-oxido-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[3-(4-chlorobenzoyl)-6-methoxy-1-oxidoindazol-1-ium-2-yl]butanamide Traditional Name: 4-[3-(4-chlorobenzoyl)-6-methoxy-1-oxido-indazol-1-ium-2-yl]butyramide Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[N+](N(C(=C2C=C1)C(=O)C3=CC=C(C=C3)Cl)CCCC(=O)N)[O-]

Isomeric SMILES

COC1=CC2=[N+](N(C(=C2C=C1)C(=O)C3=CC=C(C=C3)Cl)CCCC(=O)N)[O-]

InChI

InChI=1S/C19H18ClN3O4/c1-27-14-8-9-15-16(11-14)23(26)22(10-2-3-17(21)24)18(15)19(25)12-4-6-13(20)7-5-12/h4-9,11H,2-3,10H2,1H3,(H2,21,24)