[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-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] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7/c1-4-25-13-6-5-11(7-12(13)19(23)24)16(22)26-9-15(21)17-8-14(20)18-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,17,21)(H,18,20)