4-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-methyl-3-nitro-phenyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(4-methyl-3-nitrophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-keto-3-(4-methyl-3-nitro-phenyl)prop-1-enyl]-2-nitro-phenolate Formula: C16H11N2O6- MolecularWeight: 327.26834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6/c1-10-2-5-12(9-13(10)17(21)22)15(19)6-3-11-4-7-16(20)14(8-11)18(23)24/h2-9,20H,1H3/p-1/b6-3+