bismuth; 3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylate; 2-nitroaniline

Systemtic Name: bismuth; 3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylate; 2-nitroaniline Openeye Name: bismuth; 3-ethoxycarbonyl-2,2,3-trimethyl-cyclopentanecarboxylate; 2-nitroaniline CAS Name: bismuth; 3-ethoxycarbonyl-2,2,3-trimethyl-1-cyclopentanecarboxylate; 2-nitroaniline IUPAC Name: bismuth; 3-ethoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylate; 2-nitroaniline Traditional Name: bismuth; 3-carbethoxy-2,2,3-trimethyl-cyclopentanecarboxylate; (2-nitrophenyl)amine Formula: C18H25BiN2O6+2 MolecularWeight: 574.38128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C1(C)C)C(=O)[O-])C.C1=CC=C(C(=C1)N)[N+](=O)[O-].[Bi+3]

Isomeric SMILES

CCOC(=O)C1(CCC(C1(C)C)C(=O)[O-])C.C1=CC=C(C(=C1)N)[N+](=O)[O-].[Bi+3]

InChI

InChI=1S/C12H20O4.C6H6N2O2.Bi/c1-5-16-10(15)12(4)7-6-8(9(13)14)11(12,2)3;7-5-3-1-2-4-6(5)8(9)10;/h8H,5-7H2,1-4H3,(H,13,14);1-4H,7H2;/q;;+3/p-1