ethyl 4-(cyclohepten-1-yl)-4-nitro-5-phenyl-pentanoate

Systemtic Name: ethyl 4-(cyclohepten-1-yl)-4-nitro-5-phenyl-pentanoate Openeye Name: ethyl 4-(cyclohepten-1-yl)-4-nitro-5-phenyl-pentanoate CAS Name: 4-(1-cycloheptenyl)-4-nitro-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 4-(cyclohepten-1-yl)-4-nitro-5-phenylpentanoate Traditional Name: 4-(cyclohepten-1-yl)-4-nitro-5-phenyl-valeric acid ethyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC1=CC=CC=C1)(C2=CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(CC1=CC=CC=C1)(C2=CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H27NO4/c1-2-25-19(22)14-15-20(21(23)24,16-17-10-6-5-7-11-17)18-12-8-3-4-9-13-18/h5-7,10-12H,2-4,8-9,13-16H2,1H3