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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7/c1-4-8-18-16(22)11(3)19-15(21)10-27-17(23)12-6-7-14(26-5-2)13(9-12)20(24)25/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,21)/t11-/m0/s1