2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile Formula: C18H12N6O2 MolecularWeight: 344.32688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N6O2/c1-10-2-4-15-13(6-10)16-17(22-15)18(21-9-20-16)23-14-5-3-12(24(25)26)7-11(14)8-19/h2-7,9,22H,1H3,(H,20,21,23)