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

Systemtic Name: 3-[3-(4-methylphenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]propanamide Openeye Name: 3-[3-(4-methylbenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]propanamide CAS Name: 3-[3-[(4-methylphenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]propanamide IUPAC Name: 3-[3-(4-methylbenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]propanamide Traditional Name: 3-(6-nitro-1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)propionamide Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC(=O)N)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC(=O)N)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-11-2-4-12(5-3-11)18(24)17-14-7-6-13(22(26)27)10-15(14)21(25)20(17)9-8-16(19)23/h2-7,10H,8-9H2,1H3,(H2,19,23)