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

Systemtic Name: 4-chloranyl-3-nitro-N-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)benzamide Openeye Name: N-(6-anilino-5-nitro-pyrimidin-4-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(6-anilino-5-nitro-4-pyrimidinyl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(6-anilino-5-nitropyrimidin-4-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(6-anilino-5-nitro-pyrimidin-4-yl)-4-chloro-3-nitro-benzamide Formula: C17H11ClN6O5 MolecularWeight: 414.75944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN6O5/c18-12-7-6-10(8-13(12)23(26)27)17(25)22-16-14(24(28)29)15(19-9-20-16)21-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21,22,25)