2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]-5-nitro-benzonitrile Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C19H14N6O4/c1-28-15-6-12-14(7-16(15)29-2)23-18-17(12)21-9-22-19(18)24-13-4-3-11(25(26)27)5-10(13)8-20/h3-7,9,23H,1-2H3,(H,21,22,24)