2-(2-diethylaminoethylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(2-diethylaminoethylamino)-5-nitro-benzoic acid Openeye Name: 2-(2-diethylaminoethylamino)-5-nitro-benzoic acid CAS Name: 2-(2-diethylaminoethylamino)-5-nitrobenzoic acid IUPAC Name: 2-(2-diethylaminoethylamino)-5-nitrobenzoic acid Traditional Name: 2-(2-diethylaminoethylamino)-5-nitro-benzoic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H19N3O4/c1-3-15(4-2)8-7-14-12-6-5-10(16(19)20)9-11(12)13(17)18/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,17,18)