1-[(2-methoxy-5-nitro-phenyl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-(2-methoxy-5-nitro-benzyl)-4-(2-thienyl)tetrazol-5-one Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C13H11N5O4S/c1-22-11-5-4-10(18(20)21)7-9(11)8-16-13(19)17(15-14-16)12-3-2-6-23-12/h2-7H,8H2,1H3