ethyl 3-nitro-5-[[1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]benzoate Openeye Name: ethyl 3-[[1-methyl-2-oxo-2-(propylamino)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[1-oxo-1-(propylamino)propan-2-yl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate Traditional Name: 3-[[2-keto-1-methyl-2-(propylamino)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-4-6-17-14(20)10(3)18-15(21)11-7-12(16(22)25-5-2)9-13(8-11)19(23)24/h7-10H,4-6H2,1-3H3,(H,17,20)(H,18,21)