methyl N-[2-[[(2-azanyl-5-nitro-pyridin-3-yl)amino]methyl]-3-methyl-phenyl]carbamate

Systemtic Name: methyl N-[2-[[(2-azanyl-5-nitro-pyridin-3-yl)amino]methyl]-3-methyl-phenyl]carbamate Openeye Name: methyl N-[2-[[(2-amino-5-nitro-3-pyridyl)amino]methyl]-3-methyl-phenyl]carbamate CAS Name: N-[2-[[(2-amino-5-nitro-3-pyridinyl)amino]methyl]-3-methylphenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[[(2-amino-5-nitropyridin-3-yl)amino]methyl]-3-methylphenyl]carbamate Traditional Name: N-[2-[[(2-amino-5-nitro-3-pyridyl)amino]methyl]-3-methyl-phenyl]carbamic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC(=CN=C2N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC(=CN=C2N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c1-9-4-3-5-12(19-15(21)24-2)11(9)8-17-13-6-10(20(22)23)7-18-14(13)16/h3-7,17H,8H2,1-2H3,(H2,16,18)(H,19,21)