4-(3,7-dimethyloct-6-enylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(3,7-dimethyloct-6-enylamino)-3-nitro-benzoic acid Openeye Name: 4-(3,7-dimethyloct-6-enylamino)-3-nitro-benzoic acid CAS Name: 4-(3,7-dimethyloct-6-enylamino)-3-nitrobenzoic acid IUPAC Name: 4-(3,7-dimethyloct-6-enylamino)-3-nitrobenzoic acid Traditional Name: 4-(3,7-dimethyloct-6-enylamino)-3-nitro-benzoic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-12(2)5-4-6-13(3)9-10-18-15-8-7-14(17(20)21)11-16(15)19(22)23/h5,7-8,11,13,18H,4,6,9-10H2,1-3H3,(H,20,21)