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

Systemtic Name: pyridin-3-ylmethyl N-[[4-[(4-chloranyl-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate Openeye Name: 3-pyridylmethyl N-[[4-[(4-chloro-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[(4-chloro-2-nitroanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[[4-[(4-chloro-2-nitrophenyl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(4-chloro-2-nitro-phenyl)carbamoyl]benzyl]carbamic acid 3-pyridylmethyl ester Formula: C21H17ClN4O5 MolecularWeight: 440.83648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN4O5/c22-17-7-8-18(19(10-17)26(29)30)25-20(27)16-5-3-14(4-6-16)12-24-21(28)31-13-15-2-1-9-23-11-15/h1-11H,12-13H2,(H,24,28)(H,25,27)