3-nitro-N-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)benzamide

Systemtic Name: 3-nitro-N-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)benzamide Openeye Name: N-(6-anilino-5-nitro-pyrimidin-4-yl)-3-nitro-benzamide CAS Name: N-(6-anilino-5-nitro-4-pyrimidinyl)-3-nitrobenzamide IUPAC Name: N-(6-anilino-5-nitropyrimidin-4-yl)-3-nitrobenzamide Traditional Name: N-(6-anilino-5-nitro-pyrimidin-4-yl)-3-nitro-benzamide Formula: C17H12N6O5 MolecularWeight: 380.31438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O5/c24-17(11-5-4-8-13(9-11)22(25)26)21-16-14(23(27)28)15(18-10-19-16)20-12-6-2-1-3-7-12/h1-10H,(H2,18,19,20,21,24)