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5-[hexadecyl-(4-nitrophenyl)carbonyl-amino]-5-oxidanylidene-pentanoic acid

5-[hexadecyl-(4-nitrophenyl)carbonyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:5-[hexadecyl-(4-nitrophenyl)carbonyl-amino]-5-oxidanylidene-pentanoic acid
Openeye Name:5-[hexadecyl-(4-nitrobenzoyl)amino]-5-oxo-pentanoic acid
CAS Name:5-[hexadecyl-[(4-nitrophenyl)-oxomethyl]amino]-5-oxopentanoic acid
IUPAC Name:5-[hexadecyl-(4-nitrobenzoyl)amino]-5-oxopentanoic acid
Traditional Name:5-[cetyl-(4-nitrobenzoyl)amino]-5-keto-valeric acid
Formula: C28H44N2O6
MolecularWeight: 504.65876
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-29(26(31)17-16-18-27(32)33)28(34)24-19-21-25(22-20-24)30(35)36/h19-22H,2-18,23H2,1H3,(H,32,33)


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