6-nitro-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one

Systemtic Name: 6-nitro-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one Openeye Name: 6-nitro-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one CAS Name: 6-nitro-3-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzopyran-2-one IUPAC Name: 6-nitro-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one Traditional Name: 6-nitro-3-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]coumarin Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H17NO8/c1-27-18-8-12(9-19(28-2)20(18)29-3)4-6-16(23)15-11-13-10-14(22(25)26)5-7-17(13)30-21(15)24/h4-11H,1-3H3/b6-4+