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octadecyl 5-nitro-1H-indole-2-carboxylate

octadecyl 5-nitro-1H-indole-2-carboxylate

Systemtic Name:octadecyl 5-nitro-1H-indole-2-carboxylate
Openeye Name:octadecyl 5-nitro-1H-indole-2-carboxylate
CAS Name:5-nitro-1H-indole-2-carboxylic acid octadecyl ester
IUPAC Name:octadecyl 5-nitro-1H-indole-2-carboxylate
Traditional Name:5-nitro-1H-indole-2-carboxylic acid stearyl ester
Formula: C27H42N2O4
MolecularWeight: 458.63338
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]


InChI

InChI=1S/C27H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(30)26-22-23-21-24(29(31)32)18-19-25(23)28-26/h18-19,21-22,28H,2-17,20H2,1H3


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