[2-(3-methylbuta-1,2-dienyl)phenyl] 4-nitrobenzoate

Systemtic Name: [2-(3-methylbuta-1,2-dienyl)phenyl] 4-nitrobenzoate Openeye Name: [2-(3-methylbuta-1,2-dienyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3-methylbuta-1,2-dienyl)phenyl] ester IUPAC Name: [2-(3-methylbuta-1,2-dienyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3-methylbuta-1,2-dienyl)phenyl] ester Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=C=CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H15NO4/c1-13(2)7-8-14-5-3-4-6-17(14)23-18(20)15-9-11-16(12-10-15)19(21)22/h3-6,8-12H,1-2H3