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

Systemtic Name: 2-methoxy-4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-3-(4-morpholinophenyl)-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-3-[4-(4-morpholinyl)phenyl]-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 4-[(E)-3-keto-3-(4-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=C(C=C2)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-27-19-13-14(12-17(20(19)24)22(25)26)2-7-18(23)15-3-5-16(6-4-15)21-8-10-28-11-9-21/h2-7,12-13,24H,8-11H2,1H3/p-1/b7-2+