(E)-3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-(pyrrolidinomethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])CN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])CN3CCCC3

InChI

InChI=1S/C21H22N2O4/c1-27-21-11-9-16(14-17(21)15-22-12-4-5-13-22)8-10-20(24)18-6-2-3-7-19(18)23(25)26/h2-3,6-11,14H,4-5,12-13,15H2,1H3/b10-8+