2-methyl-5-nitro-4-(3-nitrophenyl)-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CS2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CS2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O6S/c1-9-13(17(21)22)14(10-4-2-5-11(8-10)19(23)24)16(20(25)26)15(18-9)12-6-3-7-27-12/h2-8,14,18H,1H3,(H,21,22)