methyl (2S)-4-methyl-2-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-[(E)-3-(4-nitrophenyl)acryloyl]oxyacetyl]amino]valeric acid methyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7/c1-12(2)10-15(18(23)26-3)19-16(21)11-27-17(22)9-6-13-4-7-14(8-5-13)20(24)25/h4-9,12,15H,10-11H2,1-3H3,(H,19,21)/b9-6+/t15-/m0/s1