1-[3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitro-phenyl)but-3-enyl]phenyl]-N-methyl-methanamine

Systemtic Name: 1-[3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitro-phenyl)but-3-enyl]phenyl]-N-methyl-methanamine Openeye Name: 1-[3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitro-phenyl)but-3-enyl]phenyl]-N-methyl-methanamine CAS Name: 1-[3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitrophenyl)but-3-enyl]phenyl]-N-methylmethanamine IUPAC Name: 1-[3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitrophenyl)but-3-enyl]phenyl]-N-methylmethanamine Traditional Name: [3,4-dimethoxy-2-[(E)-4-(3-methoxy-4-nitro-phenyl)but-3-enyl]benzyl]-methyl-amine Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C(=C(C=C1)OC)OC)CCC=CC2=CC(=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CNCC1=C(C(=C(C=C1)OC)OC)CC/C=C/C2=CC(=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N2O5/c1-22-14-16-10-12-19(26-2)21(28-4)17(16)8-6-5-7-15-9-11-18(23(24)25)20(13-15)27-3/h5,7,9-13,22H,6,8,14H2,1-4H3/b7-5+