pyridin-3-ylmethyl N-[[4-[(4-methyl-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[[4-[(4-methyl-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate Openeye Name: 3-pyridylmethyl N-[[4-[(4-methyl-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[(4-methyl-2-nitroanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[[4-[(4-methyl-2-nitrophenyl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(4-methyl-2-nitro-phenyl)carbamoyl]benzyl]carbamic acid 3-pyridylmethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3)[N+](=O)[O-]

InChI

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