methyl 5-nitro-6-[(3-nitrophenyl)methylamino]pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-[(3-nitrophenyl)methylamino]pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[(3-nitrophenyl)methylamino]pyridine-3-carboxylate CAS Name: 5-nitro-6-[(3-nitrophenyl)methylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-[(3-nitrophenyl)methylamino]pyridine-3-carboxylate Traditional Name: 5-nitro-6-[(3-nitrobenzyl)amino]nicotinic acid methyl ester Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6/c1-24-14(19)10-6-12(18(22)23)13(16-8-10)15-7-9-3-2-4-11(5-9)17(20)21/h2-6,8H,7H2,1H3,(H,15,16)