7-(diethylamino)-3-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]chromen-2-one

Systemtic Name: 7-(diethylamino)-3-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]chromen-2-one Openeye Name: 7-(diethylamino)-3-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]chromen-2-one CAS Name: 7-(diethylamino)-3-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]chromen-2-one Traditional Name: 7-(diethylamino)-3-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]coumarin Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-3-23(4-2)16-8-7-15-12-17(22(27)30-21(15)13-16)19(25)9-5-14-6-10-20(26)18(11-14)24(28)29/h5-13,26H,3-4H2,1-2H3/b9-5+