methyl 3-(heptylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(heptylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(heptylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(heptylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(heptylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(heptylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-3-4-5-6-7-8-17-15(19)12-9-13(16(20)23-2)11-14(10-12)18(21)22/h9-11H,3-8H2,1-2H3,(H,17,19)