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

Systemtic Name: methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-pent-4-enoyl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-pent-4-enoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-nitro-1-oxo-5-phenylpent-4-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[(E)-2-nitro-5-phenylpent-4-enoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-2-nitro-5-phenyl-pent-4-enoyl]amino]butyric acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-12(2)15(17(21)24-3)18-16(20)14(19(22)23)11-7-10-13-8-5-4-6-9-13/h4-10,12,14-15H,11H2,1-3H3,(H,18,20)/b10-7+/t14?,15-/m0/s1