ethyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(1,4-dimethylpentylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(5-methylhexan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,4-dimethylpentylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-5-24-17(21)14-8-13(9-15(10-14)19(22)23)16(20)18-12(4)7-6-11(2)3/h8-12H,5-7H2,1-4H3,(H,18,20)