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

Systemtic Name: 2-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]iminomethyl]-4-nitro-phenolate Formula: C16H12N3O5- MolecularWeight: 326.28358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5/c1-9-16(21)18-13-7-11(2-5-15(13)24-9)17-8-10-6-12(19(22)23)3-4-14(10)20/h2-9,20H,1H3,(H,18,21)/p-1/t9-/m0/s1