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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-4-6-7-8-12(3)18-16(20)13-9-14(17(21)24-5-2)11-15(10-13)19(22)23/h9-12H,4-8H2,1-3H3,(H,18,20)