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

Systemtic Name: methyl 2-[5-(4-methyl-3-nitro-phenyl)-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: methyl 2-[5-(4-methyl-3-nitro-phenyl)tetrazol-1-yl]acetate CAS Name: 2-[5-(4-methyl-3-nitrophenyl)-1-tetrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-methyl-3-nitrophenyl)tetrazol-1-yl]acetate Traditional Name: 2-[5-(4-methyl-3-nitro-phenyl)tetrazol-1-yl]acetic acid methyl ester Formula: C11H11N5O4 MolecularWeight: 277.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=NN2CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=NN2CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4/c1-7-3-4-8(5-9(7)16(18)19)11-12-13-14-15(11)6-10(17)20-2/h3-5H,6H2,1-2H3