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

Systemtic Name: 2-(decylamino)-5-nitro-benzoic acid Openeye Name: 2-(decylamino)-5-nitro-benzoic acid CAS Name: 2-(decylamino)-5-nitrobenzoic acid IUPAC Name: 2-(decylamino)-5-nitrobenzoic acid Traditional Name: 2-(decylamino)-5-nitro-benzoic acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-8-9-12-18-16-11-10-14(19(22)23)13-15(16)17(20)21/h10-11,13,18H,2-9,12H2,1H3,(H,20,21)