ethyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate Openeye Name: ethyl 3-(1-ethylpropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(pentan-3-ylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate Traditional Name: 3-(1-ethylpropylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H20N2O5/c1-4-12(5-2)16-14(18)10-7-11(15(19)22-6-3)9-13(8-10)17(20)21/h7-9,12H,4-6H2,1-3H3,(H,16,18)