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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c1-2-11-24-15-7-5-14(6-8-15)17(20)9-3-13-4-10-18(21)16(12-13)19(22)23/h3-10,12,21H,2,11H2,1H3/p-1/b9-3+