2-(hexadecylcarbamoyl)-4-nitro-benzoic acid

Systemtic Name: 2-(hexadecylcarbamoyl)-4-nitro-benzoic acid Openeye Name: 2-(hexadecylcarbamoyl)-4-nitro-benzoic acid CAS Name: 2-[(hexadecylamino)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-(hexadecylcarbamoyl)-4-nitrobenzoic acid Traditional Name: 2-(cetylcarbamoyl)-4-nitro-benzoic acid Formula: C24H38N2O5 MolecularWeight: 434.56892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-23(27)22-19-20(26(30)31)16-17-21(22)24(28)29/h16-17,19H,2-15,18H2,1H3,(H,25,27)(H,28,29)