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3-[(4-nitro-2-oxidanyl-phenyl)carbamoyl]henicosanoic acid

3-[(4-nitro-2-oxidanyl-phenyl)carbamoyl]henicosanoic acid

Systemtic Name:3-[(4-nitro-2-oxidanyl-phenyl)carbamoyl]henicosanoic acid
Openeye Name:3-[(2-hydroxy-4-nitro-phenyl)carbamoyl]henicosanoic acid
CAS Name:3-[(2-hydroxy-4-nitroanilino)-oxomethyl]heneicosanoic acid
IUPAC Name:3-[(2-hydroxy-4-nitrophenyl)carbamoyl]henicosanoic acid
Traditional Name:3-[(2-hydroxy-4-nitro-phenyl)carbamoyl]heneicosanoic acid
Formula: C28H46N2O6
MolecularWeight: 506.67464
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O


InChI

InChI=1S/C28H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(21-27(32)33)28(34)29-25-20-19-24(30(35)36)22-26(25)31/h19-20,22-23,31H,2-18,21H2,1H3,(H,29,34)(H,32,33)


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