(4-nitrophenyl)methyl N-[[4-[(2-azanylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[[4-[(2-azanylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[[4-[(2-amino-3-pyridyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(2-amino-3-pyridinyl)amino]-oxomethyl]phenyl]methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[[4-[(2-aminopyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-amino-3-pyridyl)carbamoyl]benzyl]carbamic acid (4-nitrobenzyl) ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O5/c22-19-18(2-1-11-23-19)25-20(27)16-7-3-14(4-8-16)12-24-21(28)31-13-15-5-9-17(10-6-15)26(29)30/h1-11H,12-13H2,(H2,22,23)(H,24,28)(H,25,27)