[azanyl-[[3-ethoxycarbonyl-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[3-ethoxycarbonyl-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[3-ethoxycarbonyl-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[3-ethoxycarbonyl-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[3-ethoxycarbonyl-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[3-carbethoxy-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylene]ammonium Formula: C17H20N5O6S+ MolecularWeight: 422.4356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CSC(=[NH2+])N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CSC(=[NH2+])N

InChI

InChI=1S/C17H19N5O6S/c1-3-28-16(23)14-12(8-29-17(18)19)20-9(2)15(22(26)27)13(14)10-5-4-6-11(7-10)21(24)25/h4-7,13,20H,3,8H2,1-2H3,(H3,18,19)/p+1