3-(diethylamino)-N-(3-nitro-4-propan-2-yl-phenyl)propanamide; ethanedioic acid

Systemtic Name: 3-(diethylamino)-N-(3-nitro-4-propan-2-yl-phenyl)propanamide; ethanedioic acid Openeye Name: 3-(diethylamino)-N-(4-isopropyl-3-nitro-phenyl)propanamide; oxalic acid CAS Name: 3-(diethylamino)-N-(3-nitro-4-propan-2-ylphenyl)propanamide; oxalic acid IUPAC Name: 3-(diethylamino)-N-(3-nitro-4-propan-2-ylphenyl)propanamide; oxalic acid Traditional Name: 3-(diethylamino)-N-(4-isopropyl-3-nitro-phenyl)propionamide; oxalic acid Formula: C18H27N3O7 MolecularWeight: 397.42288

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)NC1=CC(=C(C=C1)C(C)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCC(=O)NC1=CC(=C(C=C1)C(C)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O3.C2H2O4/c1-5-18(6-2)10-9-16(20)17-13-7-8-14(12(3)4)15(11-13)19(21)22;3-1(4)2(5)6/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20);(H,3,4)(H,5,6)