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

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[ethyl-[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[ethyl-[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-5-19(9-15(21)18-11(2)3)16(22)10-26-17(23)13-7-6-8-14(12(13)4)20(24)25/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)