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2-[methyl(octadecyl)carbamoyl]-5-nitro-benzoic acid

2-[methyl(octadecyl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name:2-[methyl(octadecyl)carbamoyl]-5-nitro-benzoic acid
Openeye Name:2-[methyl(octadecyl)carbamoyl]-5-nitro-benzoic acid
CAS Name:2-[[methyl(octadecyl)amino]-oxomethyl]-5-nitrobenzoic acid
IUPAC Name:2-[methyl(octadecyl)carbamoyl]-5-nitrobenzoic acid
Traditional Name:2-[methyl(stearyl)carbamoyl]-5-nitro-benzoic acid
Formula: C27H44N2O5
MolecularWeight: 476.64866
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H44N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)26(30)24-20-19-23(29(33)34)22-25(24)27(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,31,32)


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