(phenylmethyl) N-[1-[2-nitro-4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-nitro-4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate Openeye Name: benzyl N-[1-[2-nitro-4-(4-pyridylcarbamoyl)phenyl]ethyl]carbamate CAS Name: N-[1-[2-nitro-4-[oxo-(pyridin-4-ylamino)methyl]phenyl]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-nitro-4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate Traditional Name: N-[1-[2-nitro-4-(4-pyridylcarbamoyl)phenyl]ethyl]carbamic acid benzyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O5/c1-15(24-22(28)31-14-16-5-3-2-4-6-16)19-8-7-17(13-20(19)26(29)30)21(27)25-18-9-11-23-12-10-18/h2-13,15H,14H2,1H3,(H,24,28)(H,23,25,27)