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

Systemtic Name: 2-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[5-(3-methoxyphenyl)-2-tetrazolyl]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-11-6-7-12(9-15(11)22(24)25)16(23)10-21-19-17(18-20-21)13-4-3-5-14(8-13)26-2/h3-9H,10H2,1-2H3