2-ethylhexyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 2-ethylhexyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2-ethylhexyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2-ethylhexyl ester Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-5-7-8-13(6-2)12-23-17(20)14-9-10-15(18(3)4)16(11-14)19(21)22/h9-11,13H,5-8,12H2,1-4H3