[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7/c1-4-17-15(21)10(3)18-14(20)9-26-16(22)11-6-7-13(25-5-2)12(8-11)19(23)24/h6-8,10H,4-5,9H2,1-3H3,(H,17,21)(H,18,20)/t10-/m0/s1