N-(4-chloranyl-3-nitro-phenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid Openeye Name: N-(4-chloro-3-nitro-phenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid CAS Name: N-(4-chloro-3-nitrophenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid IUPAC Name: N-(4-chloro-3-nitrophenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-(diethylamino)benzamide; 4-(diethylamino)benzoic acid Formula: C28H33ClN4O5 MolecularWeight: 541.03842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].CCN(CC)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].CCN(CC)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H18ClN3O3.C11H15NO2/c1-3-20(4-2)14-8-5-12(6-9-14)17(22)19-13-7-10-15(18)16(11-13)21(23)24;1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-11H,3-4H2,1-2H3,(H,19,22);5-8H,3-4H2,1-2H3,(H,13,14)