4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-benzonitrile CAS Name: 4-[5-(3-methoxyphenyl)-2-tetrazolyl]-3-nitrobenzonitrile IUPAC Name: 4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitrobenzonitrile Traditional Name: 4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-benzonitrile Formula: C15H10N6O3 MolecularWeight: 322.2783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O3/c1-24-12-4-2-3-11(8-12)15-17-19-20(18-15)13-6-5-10(9-16)7-14(13)21(22)23/h2-8H,1H3