N-(2-hydroxyethyl)-4-[[4-(2-hydroxyethyloxy)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-yl]-oxidanyl-amino]-3-nitro-benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[[4-(2-hydroxyethyloxy)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-yl]-oxidanyl-amino]-3-nitro-benzamide Openeye Name: N-(2-hydroxyethyl)-4-[hydroxy-[4-(2-hydroxyethoxy)-4-isopropyl-1-methyl-cyclohex-2-en-1-yl]amino]-3-nitro-benzamide CAS Name: N-(2-hydroxyethyl)-4-[hydroxy-[4-(2-hydroxyethoxy)-1-methyl-4-propan-2-yl-1-cyclohex-2-enyl]amino]-3-nitrobenzamide IUPAC Name: N-(2-hydroxyethyl)-4-[hydroxy-[4-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohex-2-en-1-yl]amino]-3-nitrobenzamide Traditional Name: N-(2-hydroxyethyl)-4-[hydroxy-[4-(2-hydroxyethoxy)-4-isopropyl-1-methyl-cyclohex-2-en-1-yl]amino]-3-nitro-benzamide Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(C=C1)(C)N(C2=C(C=C(C=C2)C(=O)NCCO)[N+](=O)[O-])O)OCCO

Isomeric SMILES

CC(C)C1(CCC(C=C1)(C)N(C2=C(C=C(C=C2)C(=O)NCCO)[N+](=O)[O-])O)OCCO

InChI

InChI=1S/C21H31N3O7/c1-15(2)21(31-13-12-26)8-6-20(3,7-9-21)23(28)17-5-4-16(14-18(17)24(29)30)19(27)22-10-11-25/h4-6,8,14-15,25-26,28H,7,9-13H2,1-3H3,(H,22,27)