methyl (2S)-3-methyl-2-[(2-nitro-2-prop-2-enyl-pent-4-enoyl)amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(2-nitro-2-prop-2-enyl-pent-4-enoyl)amino]butanoate Openeye Name: methyl (2S)-2-[(2-allyl-2-nitro-pent-4-enoyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(2-nitro-1-oxo-2-prop-2-enylpent-4-enyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(2-nitro-2-prop-2-enylpent-4-enoyl)amino]butanoate Traditional Name: (2S)-2-[(2-allyl-2-nitro-pent-4-enoyl)amino]-3-methyl-butyric acid methyl ester Formula: C14H22N2O5 MolecularWeight: 298.33488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O5/c1-6-8-14(9-7-2,16(19)20)13(18)15-11(10(3)4)12(17)21-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,15,18)/t11-/m0/s1