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

Systemtic Name: 4-[3-(dimethylamino)propylamino]-3-nitro-benzoic acid Openeye Name: 4-[3-(dimethylamino)propylamino]-3-nitro-benzoic acid CAS Name: 4-[3-(dimethylamino)propylamino]-3-nitrobenzoic acid IUPAC Name: 4-[3-(dimethylamino)propylamino]-3-nitrobenzoic acid Traditional Name: 4-[3-(dimethylamino)propylamino]-3-nitro-benzoic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-14(2)7-3-6-13-10-5-4-9(12(16)17)8-11(10)15(18)19/h4-5,8,13H,3,6-7H2,1-2H3,(H,16,17)