tert-butyl 4-(3-nitropyridin-2-yl)-5H-1,4-diazepine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-nitropyridin-2-yl)-5H-1,4-diazepine-1-carboxylate Openeye Name: tert-butyl 4-(3-nitro-2-pyridyl)-5H-1,4-diazepine-1-carboxylate CAS Name: 4-(3-nitro-2-pyridinyl)-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-nitropyridin-2-yl)-5H-1,4-diazepine-1-carboxylate Traditional Name: 4-(3-nitro-2-pyridyl)-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester Formula: C15H18N4O4 MolecularWeight: 318.32782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CCN(C=C1)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CCN(C=C1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-15(2,3)23-14(20)18-9-5-8-17(10-11-18)13-12(19(21)22)6-4-7-16-13/h4-7,9-11H,8H2,1-3H3