methyl N-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]carbamate

Systemtic Name: methyl N-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]carbamate Openeye Name: methyl N-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]carbamate CAS Name: N-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]carbamic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-18-12(15)13-11(9-14(16)17)8-7-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,13,15)/b8-7+/t11-/m0/s1