(3R)-3-[methyl-(phenylmethyl)azaniumyl]-5-nitro-2-oxidanylidene-1H-indol-3-olate

Systemtic Name: (3R)-3-[methyl-(phenylmethyl)azaniumyl]-5-nitro-2-oxidanylidene-1H-indol-3-olate Openeye Name: (3R)-3-[benzyl(methyl)ammonio]-5-nitro-2-oxo-indolin-3-olate CAS Name: (3R)-3-[methyl-(phenylmethyl)ammonio]-5-nitro-2-oxo-1H-indol-3-olate IUPAC Name: (3R)-3-[benzyl(methyl)azaniumyl]-5-nitro-2-oxo-1H-indol-3-olate Traditional Name: (3R)-3-[benzyl(methyl)ammonio]-2-keto-5-nitro-indolin-3-olate Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@]2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)[O-]

InChI

InChI=1S/C16H14N3O4/c1-18(10-11-5-3-2-4-6-11)16(21)13-9-12(19(22)23)7-8-14(13)17-15(16)20/h2-9H,10H2,1H3,(H,17,20)/q-1/p+1/t16-/m1/s1