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

Systemtic Name: ethyl 4-(cyclohepten-1-yl)-5-(4-methoxyphenyl)-4-nitro-pentanoate Openeye Name: ethyl 4-(cyclohepten-1-yl)-5-(4-methoxyphenyl)-4-nitro-pentanoate CAS Name: 4-(1-cycloheptenyl)-5-(4-methoxyphenyl)-4-nitropentanoic acid ethyl ester IUPAC Name: ethyl 4-(cyclohepten-1-yl)-5-(4-methoxyphenyl)-4-nitropentanoate Traditional Name: 4-(cyclohepten-1-yl)-5-(4-methoxyphenyl)-4-nitro-valeric acid ethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-3-27-20(23)14-15-21(22(24)25,18-8-6-4-5-7-9-18)16-17-10-12-19(26-2)13-11-17/h8,10-13H,3-7,9,14-16H2,1-2H3