4-[3-(diethylamino)propylamino]-3-nitro-benzoic acid

Systemtic Name: 4-[3-(diethylamino)propylamino]-3-nitro-benzoic acid Openeye Name: 4-[3-(diethylamino)propylamino]-3-nitro-benzoic acid CAS Name: 4-[3-(diethylamino)propylamino]-3-nitrobenzoic acid IUPAC Name: 4-[3-(diethylamino)propylamino]-3-nitrobenzoic acid Traditional Name: 4-[3-(diethylamino)propylamino]-3-nitro-benzoic acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-3-16(4-2)9-5-8-15-12-7-6-11(14(18)19)10-13(12)17(20)21/h6-7,10,15H,3-5,8-9H2,1-2H3,(H,18,19)