[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H17N3O4/c1-3-17-14(20)10(2)18-13(19)9-22-15(21)12-6-4-11(8-16)5-7-12/h4-7,10H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1