(E)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-1-(4-p-anisoylpiperazino)prop-2-en-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-29-19-8-6-17(7-9-19)21(26)23-13-11-22(12-14-23)20(25)10-5-16-3-2-4-18(15-16)24(27)28/h2-10,15H,11-14H2,1H3/b10-5+