N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-6-nitro-2-oxo-chromene-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-6-nitro-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-6-nitro-2-oxochromene-3-carboxamide Traditional Name: N-homoveratryl-2-keto-8-methoxy-6-nitro-chromene-3-carboxamide Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O8/c1-28-16-5-4-12(8-17(16)29-2)6-7-22-20(24)15-10-13-9-14(23(26)27)11-18(30-3)19(13)31-21(15)25/h4-5,8-11H,6-7H2,1-3H3,(H,22,24)