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

Systemtic Name: [4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[5-(3-methoxyphenyl)-2-tetrazolyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-phenyl]-phenyl-methanone Formula: C21H15N5O4 MolecularWeight: 401.3749

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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(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(N=N2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4/c1-30-17-9-5-8-16(12-17)21-22-24-25(23-21)18-11-10-15(13-19(18)26(28)29)20(27)14-6-3-2-4-7-14/h2-13H,1H3