2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(9-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=CC=CC2=C1C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

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