2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 4-nitrobenzoate Openeye Name: [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-12-4-8-14(9-5-12)17(2,3)22-16(19)13-6-10-15(11-7-13)18(20)21/h4,6-7,10-11,14H,5,8-9H2,1-3H3