(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl 2-[(4-nitrophenyl)methyl]-3-oxidanylidene-pentanoate

Systemtic Name: (1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl 2-[(4-nitrophenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: (1-methyltetrazol-5-yl)sulfanyl 2-[(4-nitrophenyl)methyl]-3-oxo-pentanoate CAS Name: 2-[(4-nitrophenyl)methyl]-3-oxopentanoic acid [(1-methyl-5-tetrazolyl)thio] ester IUPAC Name: (1-methyltetrazol-5-yl)sulfanyl 2-[(4-nitrophenyl)methyl]-3-oxopentanoate Traditional Name: 3-keto-2-(4-nitrobenzyl)valeric acid [(1-methyltetrazol-5-yl)thio] ester Formula: C14H15N5O5S MolecularWeight: 365.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OSC2=NN=NN2C

Isomeric SMILES

CCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OSC2=NN=NN2C

InChI

InChI=1S/C14H15N5O5S/c1-3-12(20)11(8-9-4-6-10(7-5-9)19(22)23)13(21)24-25-14-15-16-17-18(14)2/h4-7,11H,3,8H2,1-2H3