methyl (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)hex-5-ynoate

Systemtic Name: methyl (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)hex-5-ynoate Openeye Name: methyl (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)hex-5-ynoate CAS Name: (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)-5-hexynoic acid methyl ester IUPAC Name: methyl (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)hex-5-ynoate Traditional Name: (3R,4R)-4-(2-cyanoethyl)-4-methyl-3-(nitromethyl)hex-5-ynoic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-4-12(2,6-5-7-13)10(9-14(16)17)8-11(15)18-3/h1,10H,5-6,8-9H2,2-3H3/t10-,12+/m0/s1