ethyl 3-nitro-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate Openeye Name: ethyl 3-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate Traditional Name: 3-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c1-4-24-15(21)11-5-10(6-12(7-11)18(22)23)14(20)16-8-13(19)17-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,20)(H,17,19)