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

Systemtic Name: 4-[(E)-3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-isopentyloxyphenyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-[4-(3-methylbutoxy)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-[4-(3-methylbutoxy)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(4-isoamoxyphenyl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C20H20NO5- MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-14(2)11-12-26-17-7-5-16(6-8-17)19(22)9-3-15-4-10-20(23)18(13-15)21(24)25/h3-10,13-14,23H,11-12H2,1-2H3/p-1/b9-3+