4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid

Systemtic Name: 4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Openeye Name: 4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid CAS Name: 4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid IUPAC Name: 4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Traditional Name: 4-methyl-2-(2-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-10-15(17(20)21)16(11-6-2-4-8-13(11)19(22)23)24-14-9-5-3-7-12(14)18-10/h2-9,16,18H,1H3,(H,20,21)