5-nitro-2-(5H-pyrimido[5,4-b]indol-4-ylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(5H-pyrimido[5,4-b]indol-4-ylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(5H-pyrimido[5,4-b]indol-4-ylamino)benzonitrile CAS Name: 5-nitro-2-(5H-pyrimido[5,4-b]indol-4-ylamino)benzonitrile IUPAC Name: 5-nitro-2-(5H-pyrimido[5,4-b]indol-4-ylamino)benzonitrile Traditional Name: 5-nitro-2-(5H-pyrimid[5,4-b]indol-4-ylamino)benzonitrile Formula: C17H10N6O2 MolecularWeight: 330.3003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H10N6O2/c18-8-10-7-11(23(24)25)5-6-13(10)22-17-16-15(19-9-20-17)12-3-1-2-4-14(12)21-16/h1-7,9,21H,(H,19,20,22)