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

Systemtic Name: 1-[4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[5-(3-methoxyphenyl)-2-tetrazolyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-phenyl]ethanone Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c1-10(22)11-6-7-14(15(9-11)21(23)24)20-18-16(17-19-20)12-4-3-5-13(8-12)25-2/h3-9H,1-2H3