4-(2-diethylaminoethyloxy)-3-nitro-benzoic acid

Systemtic Name: 4-(2-diethylaminoethyloxy)-3-nitro-benzoic acid Openeye Name: 4-(2-diethylaminoethyloxy)-3-nitro-benzoic acid CAS Name: 4-(2-diethylaminoethyloxy)-3-nitrobenzoic acid IUPAC Name: 4-(2-diethylaminoethyloxy)-3-nitrobenzoic acid Traditional Name: 4-(2-diethylaminoethyloxy)-3-nitro-benzoic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-3-14(4-2)7-8-20-12-6-5-10(13(16)17)9-11(12)15(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)