methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-nitro-1-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]butanoate Traditional Name: (2S)-2-[[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]amino]-3-methyl-butyric acid methyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CC=CC1=CC=CC=C1)(CC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC([C@H](NC(=O)C([N+](=O)[O-])(C/C=C/C1=CC=CC=C1)C/C=C/C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C26H30N2O5/c1-20(2)23(24(29)33-3)27-25(30)26(28(31)32,18-10-16-21-12-6-4-7-13-21)19-11-17-22-14-8-5-9-15-22/h4-17,20,23H,18-19H2,1-3H3,(H,27,30)/b16-10+,17-11+/t23-/m0/s1