2-nitro-4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate Openeye Name: 2-nitro-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate CAS Name: 2-nitro-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate IUPAC Name: 2-nitro-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate Traditional Name: 4-[(E)-3-keto-3-(3-keto-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-2-nitro-phenolate Formula: C17H11N2O6- MolecularWeight: 339.27904

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-14(4-1-10-2-5-15(21)13(7-10)19(23)24)11-3-6-16-12(8-11)18-17(22)9-25-16/h1-8,21H,9H2,(H,18,22)/p-1/b4-1+