3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzonitrile CAS Name: 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzonitrile IUPAC Name: 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzonitrile Traditional Name: 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzonitrile Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3/c1-23-17-6-11(9-18)2-3-12(17)7-13-10-19-16-5-4-14(20(21)22)8-15(13)16/h2-6,8,10,19H,7H2,1H3