4-azanylbenzenecarbonitrile; 1-methyl-4-nitro-benzene

Systemtic Name: 4-azanylbenzenecarbonitrile; 1-methyl-4-nitro-benzene Openeye Name: 4-aminobenzonitrile; 1-methyl-4-nitro-benzene CAS Name: 4-aminobenzonitrile; 1-methyl-4-nitrobenzene IUPAC Name: 4-aminobenzonitrile; 1-methyl-4-nitrobenzene Traditional Name: 4-aminobenzonitrile; 1-methyl-4-nitro-benzene Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C#N)N

InChI

InChI=1S/C7H6N2.C7H7NO2/c8-5-6-1-3-7(9)4-2-6;1-6-2-4-7(5-3-6)8(9)10/h1-4H,9H2;2-5H,1H3