4-[hexadecyl(methyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[hexadecyl(methyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[hexadecyl(methyl)amino]-3-nitro-benzoic acid CAS Name: 4-[hexadecyl(methyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[hexadecyl(methyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[cetyl(methyl)amino]-3-nitro-benzoic acid Formula: C24H40N2O4 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(2)22-18-17-21(24(27)28)20-23(22)26(29)30/h17-18,20H,3-16,19H2,1-2H3,(H,27,28)