[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-nitrobenzoate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-9(2)16-12(18)7-15-13(19)8-23-14(20)10-4-3-5-11(6-10)17(21)22/h3-6,9H,7-8H2,1-2H3,(H,15,19)(H,16,18)