ethyl 4-hexadecoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 4-hexadecoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 4-hexadecoxy-3-nitro-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-hexadecoxy-3-nitro-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hexadecoxy-3-nitrocyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-cetyloxy-3-nitro-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C25H43NO5 MolecularWeight: 437.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(CC1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(CC1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C25H43NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-19-18-22(25(27)30-4-2)21-23(24)26(28)29/h21H,3-20H2,1-2H3