4-(3-nitrophenyl)-2-oxidanylidene-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile

Systemtic Name: 4-(3-nitrophenyl)-2-oxidanylidene-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile Openeye Name: 4-(3-nitrophenyl)-2-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile CAS Name: 4-(3-nitrophenyl)-2-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile IUPAC Name: 4-(3-nitrophenyl)-2-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile Traditional Name: 2-keto-4-(3-nitrophenyl)-10H-pyrimido[1,2-a]benzimidazole-3-carbonitrile Formula: C17H9N5O3 MolecularWeight: 331.28506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=NC(=O)C(=C(N23)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC3=NC(=O)C(=C(N23)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H9N5O3/c18-9-12-15(10-4-3-5-11(8-10)22(24)25)21-14-7-2-1-6-13(14)19-17(21)20-16(12)23/h1-8H,(H,19,20,23)