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

Systemtic Name: 4-[(E)-3-(3,4-dimethylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3,4-dimethylphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3,4-dimethylphenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H16NO5- MolecularWeight: 326.32334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-11-4-6-14(8-12(11)2)16(20)7-5-13-9-15(19(22)23)18(21)17(10-13)24-3/h4-10,21H,1-3H3/p-1/b7-5+