3-methylbut-2-enyl 3-nitrobenzoate

Systemtic Name: 3-methylbut-2-enyl 3-nitrobenzoate Openeye Name: 3-methylbut-2-enyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-methylbut-2-enyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-9(2)6-7-17-12(14)10-4-3-5-11(8-10)13(15)16/h3-6,8H,7H2,1-2H3