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

Systemtic Name: (E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C[NH+]3CCOCC3

InChI

InChI=1S/C21H22N2O5/c1-27-21-9-5-17(14-18(21)15-22-10-12-28-13-11-22)20(24)8-4-16-2-6-19(7-3-16)23(25)26/h2-9,14H,10-13,15H2,1H3/p+1/b8-4+