(phenylmethyl) N-[(E)-1-nitrotridec-5-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(E)-1-nitrotridec-5-en-2-yl]carbamate Openeye Name: benzyl N-[(E)-1-(nitromethyl)dodec-4-enyl]carbamate CAS Name: N-[(E)-1-nitrotridec-5-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E)-1-nitrotridec-5-en-2-yl]carbamate Traditional Name: N-[(E)-1-(nitromethyl)dodec-4-enyl]carbamic acid benzyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCC(C[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC/C=C/CCC(C[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O4/c1-2-3-4-5-6-7-8-9-13-16-20(17-23(25)26)22-21(24)27-18-19-14-11-10-12-15-19/h8-12,14-15,20H,2-7,13,16-18H2,1H3,(H,22,24)/b9-8+