3-methylhepta-1,6-dien-3-yl 4-nitrobenzoate

Systemtic Name: 3-methylhepta-1,6-dien-3-yl 4-nitrobenzoate Openeye Name: (1-methyl-1-vinyl-pent-4-enyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-methylhepta-1,6-dien-3-yl ester IUPAC Name: 3-methylhepta-1,6-dien-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-methyl-1-vinyl-pent-4-enyl) ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C)(C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CCC=C)(C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H17NO4/c1-4-6-11-15(3,5-2)20-14(17)12-7-9-13(10-8-12)16(18)19/h4-5,7-10H,1-2,6,11H2,3H3