methyl 3-nitro-5-(pentylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(pentylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(pentylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(pentylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(pentylcarbamoyl)benzoate Traditional Name: 3-(amylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H18N2O5/c1-3-4-5-6-15-13(17)10-7-11(14(18)21-2)9-12(8-10)16(19)20/h7-9H,3-6H2,1-2H3,(H,15,17)