4-nitro-N-(6-nitro-5-phenyl-1-pyridin-2-yl-1,3-diazepin-2-yl)benzamide

Systemtic Name: 4-nitro-N-(6-nitro-5-phenyl-1-pyridin-2-yl-1,3-diazepin-2-yl)benzamide Openeye Name: 4-nitro-N-[6-nitro-5-phenyl-1-(2-pyridyl)-1,3-diazepin-2-yl]benzamide CAS Name: 4-nitro-N-[6-nitro-5-phenyl-1-(2-pyridinyl)-1,3-diazepin-2-yl]benzamide IUPAC Name: 4-nitro-N-(6-nitro-5-phenyl-1-pyridin-2-yl-1,3-diazepin-2-yl)benzamide Traditional Name: 4-nitro-N-[6-nitro-5-phenyl-1-(2-pyridyl)-1,3-diazepin-2-yl]benzamide Formula: C23H16N6O5 MolecularWeight: 456.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N(C=C2[N+](=O)[O-])C3=CC=CC=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N(C=C2[N+](=O)[O-])C3=CC=CC=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O5/c30-22(17-9-11-18(12-10-17)28(31)32)26-23-25-14-19(16-6-2-1-3-7-16)20(29(33)34)15-27(23)21-8-4-5-13-24-21/h1-15H,(H,25,26,30)