(E)-1-(4-methyl-3-nitro-phenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methyl-3-nitrophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(3-nitro-4-piperidino-phenyl)prop-2-en-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-15-5-8-17(14-19(15)23(26)27)21(25)10-7-16-6-9-18(20(13-16)24(28)29)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3/b10-7+