methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-3-nitro-cyclohexa-1,4-dien-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-3-nitro-cyclohexa-1,4-dien-1-yl]propanoate Openeye Name: methyl 3-[4-(4-methylcyclohexoxy)-3-(2-naphthyl)-3-nitro-cyclohexa-1,4-dien-1-yl]propanoate CAS Name: 3-[4-(4-methylcyclohexyl)oxy-3-(2-naphthalenyl)-3-nitro-1-cyclohexa-1,4-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-3-nitrocyclohexa-1,4-dien-1-yl]propanoate Traditional Name: 3-[4-(4-methylcyclohexoxy)-3-(2-naphthyl)-3-nitro-cyclohexa-1,4-dien-1-yl]propionic acid methyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC2=CCC(=CC2(C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CC1CCC(CC1)OC2=CCC(=CC2(C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C27H31NO5/c1-19-7-13-24(14-8-19)33-25-15-9-20(10-16-26(29)32-2)18-27(25,28(30)31)23-12-11-21-5-3-4-6-22(21)17-23/h3-6,11-12,15,17-19,24H,7-10,13-14,16H2,1-2H3