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

Systemtic Name: 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(8-methoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile Formula: C18H12N6O3 MolecularWeight: 360.32628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N6O3/c1-27-12-3-5-15-13(7-12)16-17(22-15)18(21-9-20-16)23-14-4-2-11(24(25)26)6-10(14)8-19/h2-7,9,22H,1H3,(H,20,21,23)