2-methyl-5-nitro-1-(phenylmethyl)indole-3-carbonitrile

Systemtic Name: 2-methyl-5-nitro-1-(phenylmethyl)indole-3-carbonitrile Openeye Name: 1-benzyl-2-methyl-5-nitro-indole-3-carbonitrile CAS Name: 2-methyl-5-nitro-1-(phenylmethyl)-3-indolecarbonitrile IUPAC Name: 1-benzyl-2-methyl-5-nitroindole-3-carbonitrile Traditional Name: 1-benzyl-2-methyl-5-nitro-indole-3-carbonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H13N3O2/c1-12-16(10-18)15-9-14(20(21)22)7-8-17(15)19(12)11-13-5-3-2-4-6-13/h2-9H,11H2,1H3