(Z)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(4-isopentyloxy-3-methoxy-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(4-isoamoxy-3-methoxy-phenyl)-2-(4-nitrophenyl)acrylonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-15(2)10-11-27-20-9-4-16(13-21(20)26-3)12-18(14-22)17-5-7-19(8-6-17)23(24)25/h4-9,12-13,15H,10-11H2,1-3H3/b18-12+