[2-[4-[(4-nitro-3-phenyl-butanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 4-nitro-3-phenyl-butanoate

Systemtic Name: [2-[4-[(4-nitro-3-phenyl-butanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 4-nitro-3-phenyl-butanoate Openeye Name: [2-[4-[(4-nitro-3-phenyl-butanoyl)oxymethyl]-2-pyridyl]-4-pyridyl]methyl 4-nitro-3-phenyl-butanoate CAS Name: 4-nitro-3-phenylbutanoic acid [2-[4-[(4-nitro-1-oxo-3-phenylbutoxy)methyl]-2-pyridinyl]-4-pyridinyl]methyl ester IUPAC Name: [2-[4-[(4-nitro-3-phenylbutanoyl)oxymethyl]pyridin-2-yl]pyridin-4-yl]methyl 4-nitro-3-phenylbutanoate Traditional Name: 4-nitro-3-phenyl-butyric acid [2-[4-[(4-nitro-3-phenyl-butanoyl)oxymethyl]-2-pyridyl]-4-pyridyl]methyl ester Formula: C32H30N4O8 MolecularWeight: 598.6026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=CC(=NC=C2)C3=NC=CC(=C3)COC(=O)CC(C[N+](=O)[O-])C4=CC=CC=C4)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC2=CC(=NC=C2)C3=NC=CC(=C3)COC(=O)CC(C[N+](=O)[O-])C4=CC=CC=C4)C[N+](=O)[O-]

InChI

InChI=1S/C32H30N4O8/c37-31(17-27(19-35(39)40)25-7-3-1-4-8-25)43-21-23-11-13-33-29(15-23)30-16-24(12-14-34-30)22-44-32(38)18-28(20-36(41)42)26-9-5-2-6-10-26/h1-16,27-28H,17-22H2