3-nitro-4-(octadecylamino)benzoic acid

Systemtic Name: 3-nitro-4-(octadecylamino)benzoic acid Openeye Name: 3-nitro-4-(octadecylamino)benzoic acid CAS Name: 3-nitro-4-(octadecylamino)benzoic acid IUPAC Name: 3-nitro-4-(octadecylamino)benzoic acid Traditional Name: 3-nitro-4-(stearylamino)benzoic acid Formula: C25H42N2O4 MolecularWeight: 434.61198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-19-18-22(25(28)29)21-24(23)27(30)31/h18-19,21,26H,2-17,20H2,1H3,(H,28,29)