(phenylmethyl) 4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(5-nitro-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-nitro-2-pyridyl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-18(26-14-15-5-2-1-3-6-15)21-10-4-9-20(11-12-21)17-8-7-16(13-19-17)22(24)25/h1-3,5-8,13H,4,9-12,14H2