3-(3-chloranyl-4,5-diethoxy-phenyl)-2-(3,4-dimethoxy-2,6-dinitro-phenyl)prop-2-enenitrile

Systemtic Name: 3-(3-chloranyl-4,5-diethoxy-phenyl)-2-(3,4-dimethoxy-2,6-dinitro-phenyl)prop-2-enenitrile Openeye Name: 3-(3-chloro-4,5-diethoxy-phenyl)-2-(3,4-dimethoxy-2,6-dinitro-phenyl)prop-2-enenitrile CAS Name: 3-(3-chloro-4,5-diethoxyphenyl)-2-(3,4-dimethoxy-2,6-dinitrophenyl)-2-propenenitrile IUPAC Name: 3-(3-chloro-4,5-diethoxyphenyl)-2-(3,4-dimethoxy-2,6-dinitrophenyl)prop-2-enenitrile Traditional Name: 3-(3-chloro-4,5-diethoxy-phenyl)-2-(3,4-dimethoxy-2,6-dinitro-phenyl)acrylonitrile Formula: C21H20ClN3O8 MolecularWeight: 477.8518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=C(C(=C(C=C2[N+](=O)[O-])OC)OC)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=C(C(=C(C=C2[N+](=O)[O-])OC)OC)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C21H20ClN3O8/c1-5-32-17-9-12(8-14(22)20(17)33-6-2)7-13(11-23)18-15(24(26)27)10-16(30-3)21(31-4)19(18)25(28)29/h7-10H,5-6H2,1-4H3