3-(diethylamino)propyl 4-(2-nitropropan-2-ylamino)benzoate

Systemtic Name: 3-(diethylamino)propyl 4-(2-nitropropan-2-ylamino)benzoate Openeye Name: 3-(diethylamino)propyl 4-[(1-methyl-1-nitro-ethyl)amino]benzoate CAS Name: 4-(2-nitropropan-2-ylamino)benzoic acid 3-(diethylamino)propyl ester IUPAC Name: 3-(diethylamino)propyl 4-(2-nitropropan-2-ylamino)benzoate Traditional Name: 4-[(1-methyl-1-nitro-ethyl)amino]benzoic acid 3-(diethylamino)propyl ester Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC(=O)C1=CC=C(C=C1)NC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCOC(=O)C1=CC=C(C=C1)NC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O4/c1-5-19(6-2)12-7-13-24-16(21)14-8-10-15(11-9-14)18-17(3,4)20(22)23/h8-11,18H,5-7,12-13H2,1-4H3