methyl N-[(E,3S,4R)-4-nitro-1-phenyl-pent-1-en-3-yl]carbamate

Systemtic Name: methyl N-[(E,3S,4R)-4-nitro-1-phenyl-pent-1-en-3-yl]carbamate Openeye Name: methyl N-[(E,1S)-1-[(1R)-1-nitroethyl]-3-phenyl-allyl]carbamate CAS Name: N-[(E,3S,4R)-4-nitro-1-phenylpent-1-en-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(E,3S,4R)-4-nitro-1-phenylpent-1-en-3-yl]carbamate Traditional Name: N-[(E,1S)-1-[(1R)-1-nitroethyl]-3-phenyl-allyl]carbamic acid methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-10(15(17)18)12(14-13(16)19-2)9-8-11-6-4-3-5-7-11/h3-10,12H,1-2H3,(H,14,16)/b9-8+/t10-,12+/m1/s1