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

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenolate IUPAC Name: 2-methoxy-6-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-methoxy-6-nitro-phenolate Formula: C18H13N2O7- MolecularWeight: 369.30502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H14N2O7/c1-26-16-7-10(6-13(18(16)23)20(24)25)2-4-14(21)11-3-5-15-12(8-11)19-17(22)9-27-15/h2-8,23H,9H2,1H3,(H,19,22)/p-1/b4-2+