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

Systemtic Name: 2-methoxy-4-[(E)-3-(3-morpholin-4-ylphenyl)-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-3-(3-morpholinophenyl)-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-3-[3-(4-morpholinyl)phenyl]-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-3-(3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 4-[(E)-3-keto-3-(3-morpholinophenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H19N2O6- MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC(=CC=C2)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC(=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H20N2O6/c1-27-19-12-14(11-17(20(19)24)22(25)26)5-6-18(23)15-3-2-4-16(13-15)21-7-9-28-10-8-21/h2-6,11-13,24H,7-10H2,1H3/p-1/b6-5+