2-[4-(diethylamino)-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(diethylamino)-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(diethylamino)-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-(diethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(diethylamino)-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-(diethylamino)-3-nitro-benzoyl]benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-3-19(4-2)15-10-9-12(11-16(15)20(24)25)17(21)13-7-5-6-8-14(13)18(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)