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

Systemtic Name: (E)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(1-piperidylmethyl)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(1-piperidinylmethyl)phenyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(piperidinomethyl)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])CN3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])CN3CCCCC3

InChI

InChI=1S/C22H24N2O4/c1-28-22-12-10-18(15-19(22)16-23-13-5-2-6-14-23)21(25)11-9-17-7-3-4-8-20(17)24(26)27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3/b11-9+