4-[3-[4-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]butanamide

Systemtic Name: 4-[3-[4-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]butanamide Openeye Name: 4-[3-(4-amino-3,5-dichloro-benzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]butanamide CAS Name: 4-[3-[(4-amino-3,5-dichlorophenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[3-(4-amino-3,5-dichlorobenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]butanamide Traditional Name: 4-[3-(4-amino-3,5-dichloro-benzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]butyramide Formula: C18H15Cl2N5O5 MolecularWeight: 452.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N5O5/c19-12-6-9(7-13(20)16(12)22)18(27)17-11-4-3-10(25(29)30)8-14(11)24(28)23(17)5-1-2-15(21)26/h3-4,6-8H,1-2,5,22H2,(H2,21,26)