2-chloranyl-2-nitro-ethanoic acid; 2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazine

Systemtic Name: 2-chloranyl-2-nitro-ethanoic acid; 2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazine Openeye Name: 2-chloro-2-nitro-acetic acid; 2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazine CAS Name: 2-chloro-2-nitroacetic acid; 2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazine IUPAC Name: 2-chloro-2-nitroacetic acid; 2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazine Traditional Name: 2-chloro-2-nitro-acetic acid; 2-p-anisyl-5,6-dihydro-4H-1,3-thiazine Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NCCCS2.C(C(=O)O)([N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NCCCS2.C(C(=O)O)([N+](=O)[O-])Cl

InChI

InChI=1S/C12H15NOS.C2H2ClNO4/c1-14-11-5-3-10(4-6-11)9-12-13-7-2-8-15-12;3-1(2(5)6)4(7)8/h3-6H,2,7-9H2,1H3;1H,(H,5,6)