methyl 5-[(E)-dec-1-enyl]-2-nitro-benzoate

Systemtic Name: methyl 5-[(E)-dec-1-enyl]-2-nitro-benzoate Openeye Name: methyl 5-[(E)-dec-1-enyl]-2-nitro-benzoate CAS Name: 5-[(E)-dec-1-enyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[(E)-dec-1-enyl]-2-nitrobenzoate Traditional Name: 5-[(E)-dec-1-enyl]-2-nitro-benzoic acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-3-4-5-6-7-8-9-10-11-15-12-13-17(19(21)22)16(14-15)18(20)23-2/h10-14H,3-9H2,1-2H3/b11-10+