4-chloranyl-2-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]iminomethyl]-6-nitro-phenolate Formula: C16H11ClN3O5- MolecularWeight: 360.72864

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O5/c1-8-16(22)19-12-6-11(2-3-14(12)25-8)18-7-9-4-10(17)5-13(15(9)21)20(23)24/h2-8,21H,1H3,(H,19,22)/p-1/t8-/m0/s1