4-[(Z)-2-chloranyl-2-(4-oxidanylidene-3,1-benzoxazin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-2-chloranyl-2-(4-oxidanylidene-3,1-benzoxazin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-chloro-2-(4-oxo-3,1-benzoxazin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-chloro-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-chloro-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-chloro-2-(4-keto-3,1-benzoxazin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C17H10ClN2O6- MolecularWeight: 373.7241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C2=NC3=CC=CC=C3C(=O)O2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(/C2=NC3=CC=CC=C3C(=O)O2)\Cl

InChI

InChI=1S/C17H11ClN2O6/c1-25-14-8-9(7-13(15(14)21)20(23)24)6-11(18)16-19-12-5-3-2-4-10(12)17(22)26-16/h2-8,21H,1H3/p-1/b11-6-